0 B14R1.158 C#CCCCN(C)Cc1ccccc1 2230a_100000186898_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 C#CCCCN(C)Cc1ccccc1 269982a_100000186898_100011215417 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.158 C#CCCNC(C)Cc1ccccn1 2230a_100000238496_100000688953 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.158 C#CCCNC(C)Cc1cccnc1 2230a_100011207255_100000688953 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.158 C#CCCNC(C)Cc1cnccn1 2230a_100011277835_100000688953 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100000748627_100000688953 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100011215631_200011218536 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.158 C#CCCOC(C)Cc1ccccc1 7a_100000748627_100000688953 [0,0,0,0,0,0|2,0,1]=3 9 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_100000688953_200011218536 [0,0,0,0,0,0|2,0,1]=3 10 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_200011218536_100000688953 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.158 C#CCOCC(C)Cc1ccccc1 34a_100012125295_100000184674 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.158 C#CCOCC(C)Cc1ccccc1 7a_100012125295_100000038162 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100000748627_100102629194 [0,0,0,0,0,0|2,0,2]=4 14 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100016270725_200011218536 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.158 C/C=C/COC(C)Cc1ccccc1 7a_100000748627_100102629194 [0,0,0,0,0,0|2,0,2]=4 16 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_100102629194_200011218536 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_200011218536_100102629194 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.158 C=CCCCN(C)Cc1ccccc1 2230a_100000186898_100011713584 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.158 C=CCCCN(C)Cc1ccccc1 269982a_100000186898_100000757094 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.158 C=CCCNC(C)C[n+]1ccccc1 270004a_100015191253_100000034229 [0,0,0,0,0,0|2,0,1]=3 21 B14R1.158 C=CCCNC(C)Cc1ccccn1 2230a_100000238496_100000754431 [0,0,0,0,0,0|2,0,1]=3 22 B14R1.158 C=CCCNC(C)Cc1cccnc1 2230a_100011207255_100000754431 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.158 C=CCCNC(C)Cc1cccnc1 270004a_100015191253_100015187140 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.158 C=CCCNC(C)Cc1ccncc1 270004a_100015191253_100000238508 [0,0,0,0,0,0|2,0,1]=3 25 B14R1.158 C=CCCNC(C)Cc1cnccn1 2230a_100011277835_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.158 C=CCCNC(C)Cc1cnccn1 270004a_100015191253_100015184882 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100000748627_100000754431 [0,0,0,0,0,0|2,0,1]=3 28 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100011205117_200011218536 [0,0,0,0,0,0|2,0,1]=3 29 B14R1.158 C=CCCOC(C)Cc1ccccc1 7a_100000748627_100000754431 [0,0,0,0,0,0|2,0,1]=3 30 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_100000754431_200011218536 [0,0,0,0,0,0|2,0,1]=3 31 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_200011218536_100000754431 [0,0,0,0,0,0|2,0,1]=3 32 B14R1.158 C=CCOCC(C)Cc1ccccc1 34a_100012125295_100015514636 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.158 C=CCOCC(C)Cc1ccccc1 7a_100012125295_100015514636 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.158 CC#CCNC(C)Cc1ccccc1 34a_100000685387_200011218536 [0,0,0,0,0,0|1,0,2]=3 35 B14R1.158 CC#CCNC(C)Cc1ccccn1 2230a_100000238496_100000748600 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.158 CC#CCNC(C)Cc1cccnc1 2230a_100011207255_100000748600 [0,0,0,0,0,0|2,0,2]=4 37 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000748627_100000748600 [0,0,0,0,0,0|2,0,2]=4 38 B14R1.158 CC#CCOC(C)Cc1ccccc1 34a_100000761923_200011218536 [0,0,0,0,0,0|2,0,2]=4 39 B14R1.158 CC#CCOC(C)Cc1ccccc1 7a_100000748627_100000748600 [0,0,0,0,0,0|2,0,2]=4 40 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_100000748600_200011218536 [0,0,0,0,0,0|2,0,2]=4 41 B14R1.158 CC#CCSC(C)Cc1ccccc1 62a_200011218536_100000748600 [0,0,0,0,0,0|2,0,2]=4 42 B14R1.158 CC(CNCCF)Oc1ccccc1 2230a_100000755676_100011217306 [0,0,0,0,0,0|3,1,0]=4 43 B14R1.158 CC(CNCCF)Oc1ccccc1 34a_100000755676_100011217306 [0,0,0,0,0,0|3,1,0]=4 44 B14R1.158 CC(CNCCO)Oc1ccccc1 2230a_100000755676_100000211926 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.158 CC(CNCCO)Oc1ccccc1 34a_100000755676_100000211926 [0,0,0,0,0,0|4,0,0]=4 46 B14R1.158 CC(COCC#N)Cc1ccccc1 7a_100012125295_100011215382 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.158 CC(COCCF)Cc1ccccc1 34a_100012125295_100011217306 [0,0,0,0,0,0|2,1,0]=3 50 B14R1.158 CC(COCCF)Cc1ccccc1 7a_100012125295_100011217306 [0,0,0,0,0,0|2,1,0]=3 51 B14R1.158 CC(COCCF)Oc1ccccc1 34a_200000036796_100011217306 [0,0,0,0,0,0|3,1,0]=4 52 B14R1.158 CC(COCCF)Oc1ccccc1 7a_200000036796_100011217306 [0,0,0,0,0,0|3,1,0]=4 53 B14R1.158 CC(COCCO)Cc1ccccc1 34a_100012125295_100000211926 [0,0,0,0,0,0|3,0,0]=3 54 B14R1.158 CC(COCCO)Cc1ccccc1 7a_100012125295_100000211926 [0,0,0,0,0,0|3,0,0]=3 55 B14R1.158 CC(COCCO)Oc1ccccc1 34a_200000036796_100000211926 [0,0,0,0,0,0|4,0,0]=4 56 B14R1.158 CC(COCCO)Oc1ccccc1 7a_200000036796_100000211926 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.158 CC(C[n+]1ccccc1)NCCC#N 270004a_100000720768_100000034229 [0,0,0,0,0,0|2,0,1]=3 58 B14R1.158 CC(C[n+]1ccccc1)NCCCF 270004a_100015189416_100000034229 [0,0,0,0,0,0|1,1,0]=2 59 B14R1.158 CC(C[n+]1ccccc1)NCCCO 270004a_100000182051_100000034229 [0,0,0,0,0,0|2,0,0]=2 60 B14R1.158 CC(Cc1ccccc1)NCCCF 34a_100015189416_200011218536 [0,0,0,0,0,0|0,1,0]=1 61 B14R1.158 CC(Cc1ccccc1)OCCC#N 7a_100000748627_100000184422 [0,0,0,0,0,0|2,0,1]=3 62 B14R1.158 CC(Cc1ccccc1)OCCCBr 34a_100011217188_200011218536 [0,0,0,0,0,0|1,1,0]=2 63 B14R1.158 CC(Cc1ccccc1)OCCCCl 34a_100000230001_200011218536 [0,0,0,0,0,0|1,0,0]=1 64 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000748627_100011934791 [0,0,0,0,0,0|1,1,0]=2 65 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000759539_200011218536 [0,0,0,0,0,0|1,1,0]=2 66 B14R1.158 CC(Cc1ccccc1)OCCCF 7a_100000748627_100011934791 [0,0,0,0,0,0|1,1,0]=2 67 B14R1.158 CC(Cc1ccccc1)OCCCN 34a_100000182051_200011218536 [0,0,0,0,0,0|2,0,0]=2 68 B14R1.158 CC(Cc1ccccc1)OCCCO 34a_100000748627_100000230001 [0,0,0,0,0,0|2,0,0]=2 69 B14R1.158 CC(Cc1ccccc1)OCCCO 7a_100000748627_100011215043 [0,0,0,0,0,0|2,0,0]=2 70 B14R1.158 CC(Cc1ccccc1)OCCON 34a_100000700252_200011218536 [0,0,0,0,0,0|3,0,0]=3 71 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_100011215226_200011218536 [0,0,0,0,0,0|2,0,1]=3 72 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_200011218536_100011215226 [0,0,0,0,0,0|2,0,1]=3 73 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_100011934791_200011218536 [0,0,0,0,0,0|1,1,0]=2 74 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_200011218536_100011934791 [0,0,0,0,0,0|1,1,0]=2 75 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_100011215043_200011218536 [0,0,0,0,0,0|2,0,0]=2 76 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_200011218536_100011215043 [0,0,0,0,0,0|2,0,0]=2 77 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_100000211825_200011218536 [0,0,0,0,0,0|3,0,1]=4 78 B14R1.158 CC(Cc1ccccc1)SCSC#N 62a_200011218536_100000211825 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.158 CC(Cc1ccccn1)NCCC#N 2230a_100000238496_100011215226 [0,0,0,0,0,0|2,0,1]=3 80 B14R1.158 CC(Cc1ccccn1)NCCCF 2230a_100000238496_100011934791 [0,0,0,0,0,0|1,1,0]=2 81 B14R1.158 CC(Cc1ccccn1)NCCCO 2230a_100000238496_100000230001 [0,0,0,0,0,0|2,0,0]=2 82 B14R1.158 CC(Cc1cccnc1)NCCC#N 2230a_100011207255_100011215226 [0,0,0,0,0,0|2,0,1]=3 83 B14R1.158 CC(Cc1cccnc1)NCCC#N 270004a_100000720768_100015187140 [0,0,0,0,0,0|2,0,1]=3 84 B14R1.158 CC(Cc1cccnc1)NCCCF 2230a_100011207255_100011934791 [0,0,0,0,0,0|1,1,0]=2 85 B14R1.158 CC(Cc1cccnc1)NCCCF 270004a_100015189416_100015187140 [0,0,0,0,0,0|1,1,0]=2 86 B14R1.158 CC(Cc1cccnc1)NCCCO 2230a_100011207255_100000230001 [0,0,0,0,0,0|2,0,0]=2 87 B14R1.158 CC(Cc1cccnc1)NCCCO 270004a_100000182051_100015187140 [0,0,0,0,0,0|2,0,0]=2 88 B14R1.158 CC(Cc1ccncc1)NCCC#N 270004a_100000720768_100000238508 [0,0,0,0,0,0|2,0,1]=3 89 B14R1.158 CC(Cc1ccncc1)NCCCF 270004a_100015189416_100000238508 [0,0,0,0,0,0|1,1,0]=2 90 B14R1.158 CC(Cc1ccncc1)NCCCO 270004a_100000182051_100000238508 [0,0,0,0,0,0|2,0,0]=2 91 B14R1.158 CC(Cc1cnccn1)NCCC#N 2230a_100011277835_100011215226 [0,0,0,0,0,0|3,0,1]=4 92 B14R1.158 CC(Cc1cnccn1)NCCC#N 270004a_100000720768_100015184882 [0,0,0,0,0,0|3,0,1]=4 93 B14R1.158 CC(Cc1cnccn1)NCCCF 2230a_100011277835_100011934791 [0,0,0,0,0,0|2,1,0]=3 94 B14R1.158 CC(Cc1cnccn1)NCCCF 270004a_100015189416_100015184882 [0,0,0,0,0,0|2,1,0]=3 95 B14R1.158 CC(Cc1cnccn1)NCCCO 2230a_100011277835_100000230001 [0,0,0,0,0,0|3,0,0]=3 96 B14R1.158 CC(Cc1cnccn1)NCCCO 270004a_100000182051_100015184882 [0,0,0,0,0,0|3,0,0]=3 97 B14R1.158 CC=CCNC(C)Cc1ccccn1 2230a_100000238496_100000070051 [0,0,0,0,0,0|2,0,2]=4 98 B14R1.158 CC=CCNC(C)Cc1cccnc1 2230a_100011207255_100000070051 [0,0,0,0,0,0|2,0,2]=4 99 B14R1.158 CC=CCOC(C)Cc1ccccc1 34a_100000748627_100000070051 [0,0,0,0,0,0|2,0,2]=4 100 B14R1.158 CC=CCOC(C)Cc1ccccc1 7a_100000748627_100000070051 [0,0,0,0,0,0|2,0,2]=4 101 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_100000070051_200011218536 [0,0,0,0,0,0|2,0,2]=4 102 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_200011218536_100000070051 [0,0,0,0,0,0|2,0,2]=4 103 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,0,0,0,0,0|3,0,1]=4 104 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [0,0,0,0,0,0|3,0,0]=3 105 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [0,0,0,0,0,0|3,0,0]=3 106 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [0,0,0,0,0,0|3,0,0]=3 107 B14R1.158 CCCCCC(C)Oc1cccnc1 34a_100000210849_200011218191 [0,0,0,0,0,0|4,0,0]=4 108 B14R1.158 CCCCCC(C)Oc1cccnc1 7a_100000210849_200011218191 [0,0,0,0,0,0|4,0,0]=4 109 B14R1.158 CCCCCC(C)Oc1ccncc1 34a_100000212176_200011218191 [0,0,0,0,0,0|4,0,0]=4 110 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [0,0,0,0,0,0|3,0,0]=3 111 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [0,0,0,0,0,0|3,0,0]=3 112 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_100011216584_200011218191 [0,0,0,0,0,0|4,0,0]=4 113 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_200011218191_100011216584 [0,0,0,0,0,0|4,0,0]=4 114 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_100000210063_200011218191 [0,0,0,0,0,0|4,0,0]=4 115 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_200011218191_100000210063 [0,0,0,0,0,0|4,0,0]=4 116 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_100000728582_200011218191 [0,0,0,0,0,0|4,0,0]=4 117 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_200011218191_100000728582 [0,0,0,0,0,0|4,0,0]=4 118 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [0,0,0,0,0,0|3,0,0]=3 119 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [0,0,0,0,0,0|3,0,0]=3 120 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [0,0,0,0,0,0|3,0,0]=3 121 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [0,0,0,0,0,0|3,0,0]=3 122 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [0,0,0,0,0,0|3,0,0]=3 123 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000207498_100000210326 [0,0,0,0,0,0|4,0,0]=4 124 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000223495_100000721315 [0,0,0,0,0,0|4,0,0]=4 125 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000207498_100000210215 [0,0,0,0,0,0|4,0,0]=4 126 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000223495_100000721315 [0,0,0,0,0,0|4,0,0]=4 127 B14R1.158 CCCCCN(C)Cc1ccccn1 270004a_100000223495_100000209966 [0,0,0,0,0,0|4,0,0]=4 128 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000184577_100000210326 [0,0,0,0,0,0|4,0,0]=4 129 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000223495_100000741622 [0,0,0,0,0,0|4,0,0]=4 130 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000184577_100000210215 [0,0,0,0,0,0|4,0,0]=4 131 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000223495_100000733263 [0,0,0,0,0,0|4,0,0]=4 132 B14R1.158 CCCCCN(C)Cc1cccnc1 270004a_100000223495_100000209961 [0,0,0,0,0,0|4,0,0]=4 133 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000187231_100000210326 [0,0,0,0,0,0|4,0,0]=4 134 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000223495_100015193705 [0,0,0,0,0,0|4,0,0]=4 135 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000187231_100000210215 [0,0,0,0,0,0|4,0,0]=4 136 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000223495_100015193705 [0,0,0,0,0,0|4,0,0]=4 137 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 11a_100000102301_200000086051 [0,0,0,0,0,0|3,0,1]=4 138 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 240690a_100000102301_200000086051 [0,0,0,0,0,0|3,0,1]=4 139 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 527a_100000102301_200000086051 [0,0,0,0,0,0|3,0,1]=4 140 B14R1.158 CCCCNC(=O)Cc1ccccn1 11a_100000102301_100000233486 [0,0,0,0,0,0|3,0,1]=4 141 B14R1.158 CCCCNC(=O)Cc1cccnc1 11a_100000102301_100000737805 [0,0,0,0,0,0|3,0,1]=4 142 B14R1.158 CCCCNC(=O)Cc1cccnc1 240690a_100000102301_100000737805 [0,0,0,0,0,0|3,0,1]=4 143 B14R1.158 CCCCNC(=O)Cc1cccnc1 527a_100000102301_100000737805 [0,0,0,0,0,0|3,0,1]=4 144 B14R1.158 CCCCNC(=O)Cc1ccncc1 11a_100000102301_100011201483 [0,0,0,0,0,0|3,0,1]=4 145 B14R1.158 CCCCNC(=O)Cc1ccncc1 240690a_100000102301_100011201483 [0,0,0,0,0,0|3,0,1]=4 146 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [0,0,0,0,0,0|3,0,1]=4 147 B14R1.158 CCCCNC(C)C[n+]1ccccc1 270004a_100000102301_100000034229 [0,0,0,0,0,0|2,0,0]=2 148 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,0,0,0,0,0|1,0,0]=1 149 B14R1.158 CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210211 [0,0,0,0,0,0|2,0,0]=2 150 B14R1.158 CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210211 [0,0,0,0,0,0|2,0,0]=2 151 B14R1.158 CCCCNC(C)Cc1cccnc1 270004a_100000102301_100015187140 [0,0,0,0,0,0|2,0,0]=2 152 B14R1.158 CCCCNC(C)Cc1ccncc1 270004a_100000102301_100000238508 [0,0,0,0,0,0|2,0,0]=2 153 B14R1.158 CCCCNC(C)Cc1cnccn1 2230a_100011277835_100000210211 [0,0,0,0,0,0|3,0,0]=3 154 B14R1.158 CCCCNC(C)Cc1cnccn1 270004a_100000102301_100015184882 [0,0,0,0,0,0|3,0,0]=3 155 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,0,0,0,0,0|2,0,0]=2 156 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,0,0,0,0,0|2,0,0]=2 157 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,0,0,0,0,0|2,0,0]=2 158 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,0,0,0,0,0|2,0,0]=2 159 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [0,0,0,0,0,0|2,0,0]=2 160 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [0,0,0,0,0,0|2,0,0]=2 161 B14R1.158 CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210303 [0,0,0,0,0,0|4,0,0]=4 162 B14R1.158 CCCNCC(C)Oc1ccccc1 34a_100000755676_100000210303 [0,0,0,0,0,0|4,0,0]=4 163 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [0,0,0,0,0,0|4,0,0]=4 164 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,0,0,0,0,0|3,0,0]=3 165 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,0,0,0,0,0|3,0,0]=3 166 B14R1.158 CCCOCC(C)Oc1ccccc1 34a_200000036796_100000210303 [0,0,0,0,0,0|4,0,0]=4 167 B14R1.158 CCCOCC(C)Oc1ccccc1 7a_200000036796_100000210303 [0,0,0,0,0,0|4,0,0]=4 168 B14R1.158 CCCOCC(N)Cc1ccccc1 34a_100000739027_100000210303 [0,0,0,0,0,0|4,0,0]=4 169 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [0,0,0,0,0,0|4,0,0]=4 170 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000210303_100000729385 [0,0,0,0,0,0|4,0,0]=4 171 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210303 [0,0,0,0,0,0|4,0,0]=4 172 B14R1.158 CCNCCN(C)Cc1ccccc1 2230a_100015525214_100015196923 [0,0,0,0,0,0|4,0,0]=4 173 B14R1.158 CCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215890 [0,0,0,0,0,0|4,0,0]=4 174 B14R1.158 CCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215890 [0,0,0,0,0,0|4,0,0]=4 175 B14R1.158 CCOCCN(C)Cc1ccccc1 34a_100121572206_100015196923 [0,0,0,0,0,0|4,0,0]=4 176 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_100000739092_200011218536 [0,0,0,0,0,0|3,0,0]=3 177 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_200011218536_100000739092 [0,0,0,0,0,0|3,0,0]=3 178 B14R1.158 CCSCCN(C)Cc1ccccc1 2230a_100000186898_100000757381 [0,0,0,0,0,0|4,0,0]=4 179 B14R1.158 CCSCCN(C)Cc1ccccc1 269982a_100000186898_100000757381 [0,0,0,0,0,0|4,0,0]=4 180 B14R1.158 CCSCCN(C)Cc1ccccc1 62a_100000210202_100015196923 [0,0,0,0,0,0|4,0,0]=4 181 B14R1.158 CN(CCCC#N)Cc1ccccc1 2230a_100000186898_100000687738 [0,0,0,0,0,0|3,0,1]=4 182 B14R1.158 CN(CCCC#N)Cc1ccccc1 269982a_100000186898_100000687738 [0,0,0,0,0,0|3,0,1]=4 183 B14R1.158 CN(CCCC=O)Cc1ccccc1 2230a_100000186898_200011292268 [0,0,0,0,0,0|3,0,1]=4 184 B14R1.158 CN(CCCC=O)Cc1ccccc1 269982a_100000186898_200011292268 [0,0,0,0,0,0|3,0,1]=4 185 B14R1.158 CN(CCCCF)Cc1ccccc1 2230a_100000186898_100000729493 [0,0,0,0,0,0|2,1,0]=3 186 B14R1.158 CN(CCCCF)Cc1ccccc1 269982a_100000186898_100000729493 [0,0,0,0,0,0|2,1,0]=3 187 B14R1.158 CN(CCCCF)Cc1ccccn1 2230a_100000207498_100000729493 [0,0,0,0,0,0|3,1,0]=4 188 B14R1.158 CN(CCCCF)Cc1ccccn1 269982a_100000207498_100000729493 [0,0,0,0,0,0|3,1,0]=4 189 B14R1.158 CN(CCCCF)Cc1cccnc1 2230a_100000184577_100000729493 [0,0,0,0,0,0|3,1,0]=4 190 B14R1.158 CN(CCCCF)Cc1cccnc1 269982a_100000184577_100000729493 [0,0,0,0,0,0|3,1,0]=4 191 B14R1.158 CN(CCCCF)Cc1ccncc1 2230a_100000187231_100000729493 [0,0,0,0,0,0|3,1,0]=4 192 B14R1.158 CN(CCCCF)Cc1ccncc1 269982a_100000187231_100000729493 [0,0,0,0,0,0|3,1,0]=4 193 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186360_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186898_100000210776 [0,0,0,0,0,0|3,0,0]=3 195 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000717598_100015291786 [0,0,0,0,0,0|3,0,0]=3 196 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186360_200000210301 [0,0,0,0,0,0|3,0,0]=3 197 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186898_100000210776 [0,0,0,0,0,0|3,0,0]=3 198 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000717598_100000211182 [0,0,0,0,0,0|3,0,0]=3 199 B14R1.158 CN(CCCCO)Cc1ccccc1 270004a_100000717598_100015611070 [0,0,0,0,0,0|3,0,0]=3 200 B14R1.158 CN(CCCCO)Cc1ccccn1 2230a_100000207498_100000210776 [0,0,0,0,0,0|4,0,0]=4 201 B14R1.158 CN(CCCCO)Cc1ccccn1 2230a_100000717598_100000721315 [0,0,0,0,0,0|4,0,0]=4 202 B14R1.158 CN(CCCCO)Cc1ccccn1 269982a_100000207498_100000210776 [0,0,0,0,0,0|4,0,0]=4 203 B14R1.158 CN(CCCCO)Cc1ccccn1 269982a_100000717598_100000721315 [0,0,0,0,0,0|4,0,0]=4 204 B14R1.158 CN(CCCCO)Cc1ccccn1 270004a_100000717598_100000209966 [0,0,0,0,0,0|4,0,0]=4 205 B14R1.158 CN(CCCCO)Cc1cccnc1 2230a_100000184577_100000210776 [0,0,0,0,0,0|4,0,0]=4 206 B14R1.158 CN(CCCCO)Cc1cccnc1 2230a_100000717598_100000741622 [0,0,0,0,0,0|4,0,0]=4 207 B14R1.158 CN(CCCCO)Cc1cccnc1 269982a_100000184577_100000210776 [0,0,0,0,0,0|4,0,0]=4 208 B14R1.158 CN(CCCCO)Cc1cccnc1 269982a_100000717598_100000733263 [0,0,0,0,0,0|4,0,0]=4 209 B14R1.158 CN(CCCCO)Cc1cccnc1 270004a_100000717598_100000209961 [0,0,0,0,0,0|4,0,0]=4 210 B14R1.158 CN(CCCCO)Cc1ccncc1 2230a_100000187231_100000210776 [0,0,0,0,0,0|4,0,0]=4 211 B14R1.158 CN(CCCCO)Cc1ccncc1 2230a_100000717598_100015193705 [0,0,0,0,0,0|4,0,0]=4 212 B14R1.158 CN(CCCCO)Cc1ccncc1 269982a_100000187231_100000210776 [0,0,0,0,0,0|4,0,0]=4 213 B14R1.158 CN(CCCCO)Cc1ccncc1 269982a_100000717598_100015193705 [0,0,0,0,0,0|4,0,0]=4 214 B14R1.158 CN(CCSCF)Cc1ccccc1 62a_100015361967_100015196923 [0,0,0,0,0,0|3,1,0]=4 215 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000186898_100000740836 [0,0,0,0,0,0|4,0,0]=4 216 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000224831_100015291786 [0,0,0,0,0,0|4,0,0]=4 217 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000707625_200000210301 [0,0,0,0,0,0|4,0,0]=4 218 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000186898_100000740836 [0,0,0,0,0,0|4,0,0]=4 219 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000224831_100000211182 [0,0,0,0,0,0|4,0,0]=4 220 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000707625_200000210301 [0,0,0,0,0,0|4,0,0]=4 221 B14R1.158 COCCCN(C)Cc1ccccc1 270004a_100000224831_100015611070 [0,0,0,0,0,0|4,0,0]=4 222 B14R1.158 COCCCN([13CH3])Cc1ccccc1 2230a_100000707625_200025704644 [0,0,0,0,0,0|4,0,0]=4 223 B14R1.158 COCCCN([13CH3])Cc1ccccc1 269982a_100000707625_200025704644 [0,0,0,0,0,0|4,0,0]=4 224 B14R1.158 COCCNC(C)C[n+]1ccccc1 270004a_100000209980_100000034229 [0,0,0,0,0,0|3,0,0]=3 225 B14R1.158 COCCNC(C)Cc1ccccn1 2230a_100000238496_100011201679 [0,0,0,0,0,0|3,0,0]=3 226 B14R1.158 COCCNC(C)Cc1cccnc1 2230a_100011207255_100011201679 [0,0,0,0,0,0|3,0,0]=3 227 B14R1.158 COCCNC(C)Cc1cccnc1 270004a_100000209980_100015187140 [0,0,0,0,0,0|3,0,0]=3 228 B14R1.158 COCCNC(C)Cc1ccncc1 270004a_100000209980_100000238508 [0,0,0,0,0,0|3,0,0]=3 229 B14R1.158 COCCNC(C)Cc1cnccn1 2230a_100011277835_100011201679 [0,0,0,0,0,0|4,0,0]=4 230 B14R1.158 COCCNC(C)Cc1cnccn1 270004a_100000209980_100015184882 [0,0,0,0,0,0|4,0,0]=4 231 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000210237_200011218536 [0,0,0,0,0,0|3,0,0]=3 232 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000748627_100011201679 [0,0,0,0,0,0|3,0,0]=3 233 B14R1.158 COCCOC(C)Cc1ccccc1 7a_100000748627_100000233755 [0,0,0,0,0,0|3,0,0]=3 234 B14R1.158 COCCSC(C)Cc1ccccc1 62a_100000233755_200011218536 [0,0,0,0,0,0|3,0,0]=3 235 B14R1.158 COCCSC(C)Cc1ccccc1 62a_200011218536_100000233755 [0,0,0,0,0,0|3,0,0]=3 236 B14R1.158 CSCCNC(C)C[n+]1ccccc1 270004a_100020590264_100000034229 [0,0,0,0,0,0|3,0,0]=3 237 B14R1.158 CSCCNC(C)Cc1ccccn1 2230a_100000238496_100000751147 [0,0,0,0,0,0|3,0,0]=3 238 B14R1.158 CSCCNC(C)Cc1cccnc1 2230a_100011207255_100000751147 [0,0,0,0,0,0|3,0,0]=3 239 B14R1.158 CSCCNC(C)Cc1cccnc1 270004a_100020590264_100015187140 [0,0,0,0,0,0|3,0,0]=3 240 B14R1.158 CSCCNC(C)Cc1ccncc1 270004a_100020590264_100000238508 [0,0,0,0,0,0|3,0,0]=3 241 B14R1.158 CSCCNC(C)Cc1cnccn1 2230a_100011277835_100000751147 [0,0,0,0,0,0|4,0,0]=4 242 B14R1.158 CSCCNC(C)Cc1cnccn1 270004a_100020590264_100015184882 [0,0,0,0,0,0|4,0,0]=4 243 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000230434_200011218536 [0,0,0,0,0,0|3,0,0]=3 244 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000748627_100000212216 [0,0,0,0,0,0|3,0,0]=3 245 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000230434_200011218536 [0,0,0,0,0,0|3,0,0]=3 246 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000748627_100000212216 [0,0,0,0,0,0|3,0,0]=3 247 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_100000212216_200011218536 [0,0,0,0,0,0|3,0,0]=3 248 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_200011218536_100000751147 [0,0,0,0,0,0|3,0,0]=3 249 B14R1.158 CSCOCC(C)Cc1ccccc1 34a_100012125295_100011218213 [0,0,0,0,0,0|4,0,0]=4 250 B14R1.158 NC(COCCF)Cc1ccccc1 34a_100000739027_100011217306 [0,0,0,0,0,0|3,1,0]=4 251 B14R1.158 NC(COCCO)Cc1ccccc1 34a_100000739027_100000211926 [0,0,0,0,0,0|4,0,0]=4 252 B14R1.158 NCCOC[C@@H](O)Cc1ccccc1 34a_100000210304_100000729385 [0,0,0,0,0,0|4,0,0]=4 253 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [0,0,0,0,0,0|3,0,1]=4 254 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 11a_100015189416_200000086051 [0,0,0,0,0,0|2,1,1]=4 255 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 240690a_100015189416_200000086051 [0,0,0,0,0,0|2,1,1]=4 256 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 527a_100015189416_200000086051 [0,0,0,0,0,0|2,1,1]=4 257 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 240690a_100000182051_200000086051 [0,0,0,0,0,0|3,0,1]=4 258 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 527a_100000182051_200000086051 [0,0,0,0,0,0|3,0,1]=4 259 B14R1.158 O=C(Cc1ccccn1)NCCCF 11a_100015189416_100000233486 [0,0,0,0,0,0|2,1,1]=4 260 B14R1.158 O=C(Cc1cccnc1)NCCCF 11a_100015189416_100000737805 [0,0,0,0,0,0|2,1,1]=4 261 B14R1.158 O=C(Cc1cccnc1)NCCCF 240690a_100015189416_100000737805 [0,0,0,0,0,0|2,1,1]=4 262 B14R1.158 O=C(Cc1cccnc1)NCCCF 527a_100015189416_100000737805 [0,0,0,0,0,0|2,1,1]=4 263 B14R1.158 O=C(Cc1cccnc1)NCCCO 240690a_100000182051_100000737805 [0,0,0,0,0,0|3,0,1]=4 264 B14R1.158 O=C(Cc1cccnc1)NCCCO 527a_100000182051_100000737805 [0,0,0,0,0,0|3,0,1]=4 265 B14R1.158 O=C(Cc1ccncc1)NCCCF 11a_100015189416_100011201483 [0,0,0,0,0,0|2,1,1]=4 266 B14R1.158 O=C(Cc1ccncc1)NCCCF 240690a_100015189416_100011201483 [0,0,0,0,0,0|2,1,1]=4 267 B14R1.158 O=C(Cc1ccncc1)NCCCO 240690a_100000182051_100011201483 [0,0,0,0,0,0|3,0,1]=4 268 B14R1.158 O=C(NCCCF)Nc1ccccc1 2430a_100000106764_100015189416 [0,0,0,0,0,0|2,1,1]=4 269 B14R1.158 O=C(NCCCO)Nc1ccccc1 2430a_100000106764_100000182051 [0,0,0,0,0,0|3,0,1]=4 270 B14R1.158 OC(CNCCF)Cc1ccccc1 2230a_100000752270_100011217306 [0,0,0,0,0,0|3,1,0]=4 271 B14R1.158 OCCNCC(O)Cc1ccccc1 2230a_100000752270_100000211926 [0,0,0,0,0,0|4,0,0]=4 272 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 2230a_100016997473_100000729385 [0,0,0,0,0,0|4,0,0]=4 273 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 34a_100016990907_100000729385 [0,0,0,0,0,0|4,0,0]=4 274 B14R1.158 OCCSC[C@@H](O)Cc1ccccc1 62a_100000211926_100000729385 [0,0,0,0,0,0|4,0,0]=4 275 B14R1.158 OCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000211926 [0,0,0,0,0,0|4,0,0]=4 276 B14R1.158 O[C@H](CNCCF)Cc1ccccc1 34a_100000724931_100000729385 [0,0,0,0,0,0|3,1,0]=4 277 B14R1.158 O[C@H](COCCBr)Cc1ccccc1 34a_100000211926_100000729385 [0,0,0,0,0,0|3,1,0]=4 278 B14R1.158 O[C@H](CSCCF)Cc1ccccc1 62a_100000729385_100011217306 [0,0,0,0,0,0|3,1,0]=4 279 B14R1.158 O[C@H](CSCCF)Cc1ccccc1 62a_100011217306_100000729385 [0,0,0,0,0,0|3,1,0]=4 280 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 2230a_100000186360_200025704644 [0,0,0,0,0,0|3,0,0]=3 281 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 269982a_100000186360_200025704644 [0,0,0,0,0,0|3,0,0]=3 282 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [1,0,0,0,0,0|2,1,0]=4 283 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [1,0,0,0,0,0|1,1,0]=3 284 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [1,0,0,0,0,0|2,1,0]=4 285 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [1,0,0,0,0,0|1,0,1]=3 286 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [1,0,0,0,0,0|1,0,1]=3 287 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [1,0,0,0,0,0|1,0,1]=3 288 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [1,0,0,0,0,0|2,0,1]=4 290 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [1,0,0,0,0,0|2,0,1]=4 291 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [1,0,0,0,0,0|2,0,1]=4 292 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [1,0,0,0,0,0|2,0,1]=4 293 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [1,0,0,0,0,0|2,0,1]=4 294 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [1,0,0,0,0,0|1,0,2]=4 295 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [1,0,0,0,0,0|1,0,1]=3 296 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [1,0,0,0,0,0|1,0,1]=3 297 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [1,0,0,0,0,0|1,0,1]=3 298 B13R1.28 C=CCCNCCc1ccccn1 2230a_100015191253_100015183660 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [1,0,0,0,0,0|2,0,1]=4 301 B13R1.28 C=CCCNCCc1ccncc1 2230a_100015191253_100000723409 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.28 C=CCCNCSc1ccccc1 2230a_100015191253_100011218342 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [1,0,0,0,0,0|1,0,2]=4 309 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [1,0,0,0,0,0|1,0,2]=4 310 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [1,0,0,0,0,0|1,0,2]=4 311 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [1,0,0,0,0,0|1,0,2]=4 312 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [1,0,0,0,0,0|1,0,2]=4 313 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [1,0,0,0,0,0|1,0,2]=4 314 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [1,0,0,0,0,0|3,0,0]=4 316 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [1,0,0,0,0,0|3,0,0]=4 317 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [1,0,0,0,0,0|3,0,0]=4 318 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [1,0,0,0,0,0|3,0,0]=4 319 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [1,0,0,0,0,0|3,0,0]=4 320 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [1,0,0,0,0,0|3,0,0]=4 321 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [1,0,0,0,0,0|3,0,0]=4 322 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [1,0,0,0,0,0|3,0,0]=4 323 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [1,0,0,0,0,0|3,0,0]=4 324 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [1,0,0,0,0,0|3,0,0]=4 325 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [1,0,0,0,0,0|3,0,0]=4 326 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [1,0,0,0,0,0|3,0,0]=4 327 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [1,0,0,0,0,0|3,0,0]=4 328 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [1,0,0,0,0,0|3,0,0]=4 329 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [1,0,0,0,0,0|3,0,0]=4 330 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [1,0,0,0,0,0|3,0,0]=4 331 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [1,0,0,0,0,0|1,0,0]=2 332 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [1,0,0,0,0,0|1,0,0]=2 333 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [1,0,0,0,0,0|1,0,0]=2 334 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [1,0,0,0,0,0|1,0,0]=2 335 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [1,0,0,0,0,0|2,0,0]=3 336 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [1,0,0,0,0,0|2,0,0]=3 337 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [1,0,0,0,0,0|2,0,0]=3 338 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [1,0,0,0,0,0|2,0,0]=3 339 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [1,0,0,0,0,0|2,0,0]=3 340 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [1,0,0,0,0,0|2,0,0]=3 341 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [1,0,0,0,0,0|2,0,0]=3 342 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [1,0,0,0,0,0|2,0,0]=3 343 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [1,0,0,0,0,0|2,0,1]=4 344 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [1,0,0,0,0,0|2,0,0]=3 345 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [1,0,0,0,0,0|2,0,0]=3 346 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [1,0,0,0,0,0|2,0,0]=3 347 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [1,0,0,0,0,0|2,0,0]=3 348 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [1,0,0,0,0,0|3,0,0]=4 349 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [1,0,0,0,0,0|3,0,0]=4 350 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [1,0,0,0,0,0|3,0,0]=4 351 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [1,0,0,0,0,0|3,0,0]=4 352 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [1,0,0,0,0,0|3,0,0]=4 353 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [1,0,0,0,0,0|3,0,0]=4 354 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [1,0,0,0,0,0|3,0,0]=4 356 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [1,0,0,0,0,0|3,0,0]=4 357 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [1,0,0,0,0,0|3,0,0]=4 358 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [1,0,0,0,0,0|2,0,0]=3 359 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [1,0,0,0,0,0|2,0,0]=3 360 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [1,0,0,0,0,0|3,0,0]=4 361 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [1,0,0,0,0,0|3,0,0]=4 362 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [1,0,0,0,0,0|3,0,0]=4 363 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [1,0,0,0,0,0|3,0,0]=4 364 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [1,0,0,0,0,0|3,0,0]=4 365 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [1,0,0,0,0,0|3,0,0]=4 366 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [1,0,0,0,0,0|3,0,0]=4 367 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [1,0,0,0,0,0|3,0,0]=4 368 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [1,0,0,0,0,0|3,0,0]=4 369 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [1,0,0,0,0,0|3,0,0]=4 370 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [1,0,0,0,0,0|3,0,0]=4 371 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [1,0,0,0,0,0|3,0,0]=4 372 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [1,0,0,0,0,0|3,0,0]=4 373 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [1,0,0,0,0,0|3,0,0]=4 374 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [1,0,0,0,0,0|3,0,0]=4 375 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [1,0,0,0,0,0|3,0,0]=4 380 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [1,0,0,0,0,0|3,0,0]=4 381 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [1,0,0,0,0,0|3,0,0]=4 382 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [1,0,0,0,0,0|3,0,0]=4 383 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [1,0,0,0,0,0|3,0,0]=4 384 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [1,0,0,0,0,0|3,0,0]=4 385 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [1,0,0,0,0,0|3,0,0]=4 386 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [1,0,0,0,0,0|3,0,0]=4 387 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [1,0,0,0,0,0|3,0,0]=4 388 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [1,0,0,0,0,0|3,0,0]=4 389 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [1,0,0,0,0,0|3,0,0]=4 390 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [1,0,0,0,0,0|3,0,0]=4 391 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [1,0,0,0,0,0|3,0,0]=4 392 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [1,0,0,0,0,0|2,0,0]=3 394 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [1,0,0,0,0,0|2,0,0]=3 395 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [1,0,0,0,0,0|2,0,0]=3 396 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [1,0,0,0,0,0|3,0,0]=4 397 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [1,0,0,0,0,0|3,0,0]=4 398 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [1,0,0,0,0,0|3,0,0]=4 399 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [1,0,0,0,0,0|3,0,0]=4 400 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [1,0,0,0,0,0|3,0,0]=4 401 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [1,0,0,0,0,0|3,0,0]=4 402 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [1,0,0,0,0,0|3,0,0]=4 403 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [1,0,0,0,0,0|3,0,0]=4 404 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [1,0,0,0,0,0|3,0,0]=4 405 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [1,0,0,0,0,0|3,0,0]=4 406 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [1,0,0,0,0,0|3,0,0]=4 407 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [1,0,0,0,0,0|3,0,0]=4 408 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [1,0,0,0,0,0|2,0,0]=3 409 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [1,0,0,0,0,0|2,0,0]=3 410 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [1,0,0,0,0,0|2,0,0]=3 411 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [1,0,0,0,0,0|3,0,0]=4 412 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [1,0,0,0,0,0|3,0,0]=4 413 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [1,0,0,0,0,0|3,0,0]=4 414 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [1,0,0,0,0,0|3,0,0]=4 415 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [1,0,0,0,0,0|3,0,0]=4 416 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [1,0,0,0,0,0|3,0,0]=4 417 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [1,0,0,0,0,0|3,0,0]=4 418 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [1,0,0,0,0,0|3,0,0]=4 419 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [1,0,0,0,0,0|3,0,0]=4 420 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [1,0,0,0,0,0|3,0,0]=4 421 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [1,0,0,0,0,0|3,0,0]=4 422 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [1,0,0,0,0,0|2,0,0]=3 423 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [1,0,0,0,0,0|2,0,0]=3 424 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [1,0,0,0,0,0|3,0,0]=4 425 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [1,0,0,0,0,0|3,0,0]=4 426 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [1,0,0,0,0,0|3,0,0]=4 427 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [1,0,0,0,0,0|3,0,0]=4 428 B13R1.28 ClCCCCOCc1ccncc1 7a_100000210776_100015193705 [1,0,0,0,0,0|3,0,0]=4 429 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [1,0,0,0,0,0|1,0,0]=2 430 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [1,0,0,0,0,0|2,1,0]=4 431 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [1,0,0,0,0,0|2,1,0]=4 432 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [1,0,0,0,0,0|2,1,0]=4 433 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [1,0,0,0,0,0|2,1,0]=4 434 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [1,0,0,0,0,0|2,1,0]=4 435 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [1,0,0,0,0,0|2,1,0]=4 436 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [1,0,0,0,0,0|2,1,0]=4 437 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [1,0,0,0,0,0|2,1,0]=4 438 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [1,0,0,0,0,0|2,1,0]=4 439 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [1,0,0,0,0,0|2,1,0]=4 440 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [1,0,0,0,0,0|2,1,0]=4 441 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [1,0,0,0,0,0|2,1,0]=4 442 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [1,0,0,0,0,0|2,1,0]=4 443 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [1,0,0,0,0,0|0,1,0]=2 444 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [1,0,0,0,0,0|0,1,0]=2 445 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [1,0,0,0,0,0|0,1,0]=2 446 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [1,0,0,0,0,0|0,1,0]=2 447 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [1,0,0,0,0,0|1,1,0]=3 448 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [1,0,0,0,0,0|1,1,0]=3 449 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [1,0,0,0,0,0|1,1,0]=3 450 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [1,0,0,0,0,0|1,1,0]=3 451 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [1,0,0,0,0,0|1,1,0]=3 452 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [1,0,0,0,0,0|1,1,0]=3 453 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [1,0,0,0,0,0|1,1,0]=3 454 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [1,0,0,0,0,0|1,1,0]=3 455 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [1,0,0,0,0,0|2,1,0]=4 456 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [1,0,0,0,0,0|2,1,0]=4 457 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [1,0,0,0,0,0|2,1,0]=4 458 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [1,0,0,0,0,0|1,1,0]=3 459 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [1,0,0,0,0,0|1,1,0]=3 460 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [1,0,0,0,0,0|2,1,0]=4 461 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [1,0,0,0,0,0|2,1,0]=4 462 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [1,0,0,0,0,0|2,1,0]=4 463 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [1,0,0,0,0,0|2,1,0]=4 464 B13R1.28 FCCCSCCc1ccncc1 62a_100000723409_100011934791 [1,0,0,0,0,0|2,1,0]=4 465 B13R1.28 FCCCSCCc1ccncc1 62a_100011934791_100000723409 [1,0,0,0,0,0|2,1,0]=4 466 B13R1.28 FCCCSCSc1ccccc1 62a_100011218342_100011934791 [1,0,0,0,0,0|2,1,0]=4 467 B13R1.28 FCCCSCSc1ccccc1 62a_100011934791_100011218342 [1,0,0,0,0,0|2,1,0]=4 468 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [1,0,0,0,0,0|2,1,0]=4 469 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [1,0,0,0,0,0|2,1,0]=4 470 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [1,0,0,0,0,0|2,1,0]=4 471 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [1,0,0,0,0,0|2,1,0]=4 472 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [1,0,0,0,0,0|2,1,0]=4 473 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [1,0,0,0,0,0|2,1,0]=4 474 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [1,0,0,0,0,0|2,1,0]=4 475 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [1,0,0,0,0,0|2,1,0]=4 476 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [1,0,0,0,0,0|2,1,0]=4 477 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [1,0,0,0,0,0|2,1,0]=4 478 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [1,0,0,0,0,0|2,1,0]=4 479 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [1,0,0,0,0,0|2,1,0]=4 480 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [1,0,0,0,0,0|2,1,0]=4 481 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [1,0,0,0,0,0|1,0,1]=3 482 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [1,0,0,0,0,0|2,0,1]=4 483 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [1,0,0,0,0,0|2,0,1]=4 484 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [1,0,0,0,0,0|2,0,1]=4 485 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [1,0,0,0,0,0|2,0,1]=4 486 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [1,0,0,0,0,0|3,0,0]=4 487 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [1,0,0,0,0,0|2,0,0]=3 488 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [1,0,0,0,0,0|3,0,0]=4 489 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [1,0,0,0,0,0|3,0,0]=4 490 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [1,0,0,0,0,0|3,0,0]=4 491 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [1,0,0,0,0,0|3,0,0]=4 492 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [1,0,0,0,0,0|3,0,0]=4 493 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [1,0,0,0,0,0|3,0,0]=4 494 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [1,0,0,0,0,0|3,0,0]=4 495 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [1,0,0,0,0,0|3,0,0]=4 496 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [1,0,0,0,0,0|3,0,0]=4 497 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [1,0,0,0,0,0|3,0,0]=4 498 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [1,0,0,0,0,0|3,0,0]=4 499 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [1,0,0,0,0,0|3,0,0]=4 500 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [1,0,0,0,0,0|3,0,0]=4 501 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [1,0,0,0,0,0|3,0,0]=4 502 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [1,0,0,0,0,0|3,0,0]=4 503 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [1,0,0,0,0,0|3,0,0]=4 504 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [1,0,0,0,0,0|3,0,0]=4 505 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [1,0,0,0,0,0|1,0,0]=2 506 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [1,0,0,0,0,0|1,0,0]=2 507 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [1,0,0,0,0,0|2,0,0]=3 508 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [1,0,0,0,0,0|2,0,0]=3 509 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [1,0,0,0,0,0|2,0,0]=3 510 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [1,0,0,0,0,0|3,0,0]=4 511 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [1,0,0,0,0,0|3,0,0]=4 512 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [1,0,0,0,0,0|3,0,0]=4 513 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [1,0,0,0,0,0|2,0,0]=3 514 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [1,0,0,0,0,0|2,0,0]=3 515 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [1,0,0,0,0,0|3,0,0]=4 516 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [1,0,0,0,0,0|3,0,0]=4 517 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [1,0,0,0,0,0|3,0,0]=4 518 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [1,0,0,0,0,0|3,0,0]=4 519 B13R1.28 OCCCSCCc1ccncc1 62a_100000723409_100011215043 [1,0,0,0,0,0|3,0,0]=4 520 B13R1.28 OCCCSCCc1ccncc1 62a_100011215043_100000723409 [1,0,0,0,0,0|3,0,0]=4 521 B13R1.28 OCCCSCSc1ccccc1 62a_100011215043_100011218342 [1,0,0,0,0,0|3,0,0]=4 522 B13R1.28 OCCCSCSc1ccccc1 62a_100011218342_100011215043 [1,0,0,0,0,0|3,0,0]=4 523 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [1,0,0,0,0,0|3,0,0]=4 524 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [1,0,0,0,0,0|3,0,0]=4 525 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [1,0,0,0,0,0|3,0,0]=4 526 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [1,0,0,0,0,0|3,0,0]=4 527 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [1,0,0,0,0,0|3,0,0]=4 528 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [1,0,0,0,0,0|3,0,0]=4 529 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [1,0,0,0,0,0|3,0,0]=4 530 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [1,0,0,0,0,0|3,0,0]=4 531 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [1,0,0,0,0,0|3,0,0]=4 532 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [1,0,0,0,0,0|3,0,0]=4 533 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [1,0,0,0,0,0|3,0,0]=4 534 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [1,0,0,0,0,0|3,0,0]=4 535 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [1,0,0,0,0,0|3,0,0]=4 536 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [1,0,0,0,0,0|3,0,0]=4 537 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [1,0,0,0,0,0|2,0,1]=4 538 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [1,0,0,0,0,0|2,0,1]=4 539 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [1,0,0,0,0,0|0,0,2]=3 540 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [1,0,0,0,0,0|1,0,2]=4 541 B13R1.44 C#CCNC(C)Cc1cccnc1 2230a_100011207255_100000038162 [1,0,0,0,0,0|1,0,2]=4 542 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [1,0,0,0,0,0|1,0,2]=4 543 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [1,0,0,0,0,0|1,0,2]=4 544 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [1,0,0,0,0,0|1,0,2]=4 545 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [1,0,0,0,0,0|1,0,2]=4 546 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [1,0,0,0,0,0|2,0,1]=4 547 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [1,0,0,0,0,0|2,0,1]=4 548 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [1,0,0,0,0,0|2,0,1]=4 549 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [1,0,0,0,0,0|2,0,1]=4 550 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [1,0,0,0,0,0|2,0,1]=4 551 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [1,0,0,0,0,0|2,0,1]=4 552 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [1,0,0,0,0,0|2,0,1]=4 553 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [1,0,0,0,0,0|2,0,1]=4 554 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [1,0,0,0,0,0|2,0,1]=4 555 B13R1.44 C=CCNC(C)C[n+]1ccccc1 270004a_100020586998_100000034229 [1,0,0,0,0,0|1,0,2]=4 556 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [1,0,0,0,0,0|1,0,2]=4 557 B13R1.44 C=CCNC(C)Cc1cccnc1 2230a_100011207255_100000210623 [1,0,0,0,0,0|1,0,2]=4 558 B13R1.44 C=CCNC(C)Cc1cccnc1 270004a_100020586998_100015187140 [1,0,0,0,0,0|1,0,2]=4 559 B13R1.44 C=CCNC(C)Cc1ccncc1 270004a_100020586998_100000238508 [1,0,0,0,0,0|1,0,2]=4 560 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 561 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [1,0,0,0,0,0|1,0,2]=4 562 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [1,0,0,0,0,0|1,0,2]=4 563 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [1,0,0,0,0,0|1,0,2]=4 564 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [1,0,0,0,0,0|1,0,2]=4 565 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [1,0,0,0,0,0|2,1,0]=4 566 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [1,0,0,0,0,0|1,1,0]=3 567 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [1,0,0,0,0,0|1,1,0]=3 568 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [1,0,0,0,0,0|2,1,0]=4 569 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [1,0,0,0,0,0|2,1,0]=4 570 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [1,0,0,0,0,0|2,0,0]=3 571 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [1,0,0,0,0,0|0,1,0]=2 572 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [1,0,0,0,0,0|1,0,0]=2 573 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [1,0,0,0,0,0|2,0,1]=4 574 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [1,0,0,0,0,0|2,0,1]=4 575 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [1,0,0,0,0,0|2,0,1]=4 576 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [1,0,0,0,0,0|1,1,0]=3 577 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [1,0,0,0,0,0|1,1,0]=3 578 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [1,0,0,0,0,0|1,1,0]=3 579 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [1,0,0,0,0,0|2,0,0]=3 580 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [1,0,0,0,0,0|2,0,0]=3 581 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [1,0,0,0,0,0|2,0,0]=3 582 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [1,0,0,0,0,0|2,0,1]=4 583 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [1,0,0,0,0,0|2,0,1]=4 584 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [1,0,0,0,0,0|2,0,1]=4 585 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [1,0,0,0,0,0|2,0,1]=4 586 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [1,0,0,0,0,0|1,1,0]=3 587 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [1,0,0,0,0,0|1,1,0]=3 588 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [1,0,0,0,0,0|2,0,0]=3 589 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [1,0,0,0,0,0|2,0,0]=3 590 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [1,0,0,0,0,0|2,0,1]=4 591 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [1,0,0,0,0,0|2,0,1]=4 592 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [1,0,0,0,0,0|1,1,0]=3 593 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [1,0,0,0,0,0|2,0,0]=3 594 B13R1.44 CC(Cc1cccnc1)NCC#N 2230a_100011207255_100011215382 [1,0,0,0,0,0|2,0,1]=4 595 B13R1.44 CC(Cc1cccnc1)NCC=O 2230a_100011207255_200015260668 [1,0,0,0,0,0|2,0,1]=4 596 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [1,0,0,0,0,0|1,1,0]=3 597 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [1,0,0,0,0,0|2,0,0]=3 598 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [1,0,0,0,0,0|2,0,0]=3 599 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [1,0,0,0,0,0|2,0,0]=3 600 B13R1.44 CC(Cc1cnccn1)NCCF 2230a_100011277835_100011217306 [1,0,0,0,0,0|2,1,0]=4 601 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [1,0,0,0,0,0|3,0,0]=4 602 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [1,0,0,0,0,0|3,0,0]=4 603 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [1,0,0,0,0,0|2,0,1]=4 604 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [1,0,0,0,0,0|2,0,0]=3 605 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [1,0,0,0,0,0|2,0,0]=3 606 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [1,0,0,0,0,0|2,0,0]=3 607 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [1,0,0,0,0,0|3,0,0]=4 608 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [1,0,0,0,0,0|3,0,0]=4 609 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [1,0,0,0,0,0|3,0,0]=4 610 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [1,0,0,0,0,0|2,0,0]=3 611 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [1,0,0,0,0,0|2,0,0]=3 612 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [1,0,0,0,0,0|3,0,0]=4 613 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [1,0,0,0,0,0|3,0,0]=4 614 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [1,0,0,0,0,0|3,0,0]=4 615 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [1,0,0,0,0,0|3,0,0]=4 616 B13R1.44 CCCCC(C)Sc1ccncc1 62a_100000728582_200011215066 [1,0,0,0,0,0|3,0,0]=4 617 B13R1.44 CCCCC(C)Sc1ccncc1 62a_200011215066_100000728582 [1,0,0,0,0,0|3,0,0]=4 618 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [1,0,0,0,0,0|2,0,0]=3 619 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [1,0,0,0,0,0|2,0,0]=3 620 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [1,0,0,0,0,0|2,0,0]=3 621 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [1,0,0,0,0,0|2,0,0]=3 622 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [1,0,0,0,0,0|2,0,0]=3 623 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [1,0,0,0,0,0|2,0,0]=3 624 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [1,0,0,0,0,0|2,0,0]=3 625 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [1,0,0,0,0,0|3,0,0]=4 626 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [1,0,0,0,0,0|3,0,0]=4 627 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [1,0,0,0,0,0|3,0,0]=4 628 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [1,0,0,0,0,0|3,0,0]=4 629 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [1,0,0,0,0,0|3,0,0]=4 630 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [1,0,0,0,0,0|3,0,0]=4 631 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [1,0,0,0,0,0|3,0,0]=4 632 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [1,0,0,0,0,0|3,0,0]=4 633 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [1,0,0,0,0,0|3,0,0]=4 634 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [1,0,0,0,0,0|3,0,0]=4 635 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [1,0,0,0,0,0|3,0,0]=4 636 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [1,0,0,0,0,0|3,0,0]=4 637 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [1,0,0,0,0,0|3,0,0]=4 638 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [1,0,0,0,0,0|3,0,0]=4 639 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000187231_100000210211 [1,0,0,0,0,0|3,0,0]=4 640 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000207549_100015193705 [1,0,0,0,0,0|3,0,0]=4 641 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_200015187765_200000210301 [1,0,0,0,0,0|3,0,0]=4 642 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000187231_100000210211 [1,0,0,0,0,0|3,0,0]=4 643 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000207549_100015193705 [1,0,0,0,0,0|3,0,0]=4 644 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_200015187765_200000210301 [1,0,0,0,0,0|3,0,0]=4 645 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [1,0,0,0,0,0|2,0,0]=3 646 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [1,0,0,0,0,0|2,0,0]=3 647 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [1,0,0,0,0,0|3,0,0]=4 648 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [1,0,0,0,0,0|3,0,0]=4 649 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [1,0,0,0,0,0|3,0,0]=4 650 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [1,0,0,0,0,0|3,0,0]=4 651 B13R1.44 CCCCN([13CH3])Cc1ccncc1 2230a_200015187765_200025704644 [1,0,0,0,0,0|3,0,0]=4 652 B13R1.44 CCCCN([13CH3])Cc1ccncc1 269982a_200015187765_200025704644 [1,0,0,0,0,0|3,0,0]=4 653 B13R1.44 CCCNC(=O)C[n+]1ccccc1 11a_100020643023_200000086051 [1,0,0,0,0,0|2,0,1]=4 654 B13R1.44 CCCNC(=O)C[n+]1ccccc1 240690a_100020643023_200000086051 [1,0,0,0,0,0|2,0,1]=4 655 B13R1.44 CCCNC(=O)C[n+]1ccccc1 527a_100020643023_200000086051 [1,0,0,0,0,0|2,0,1]=4 656 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [1,0,0,0,0,0|2,0,1]=4 657 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [1,0,0,0,0,0|2,0,1]=4 658 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [1,0,0,0,0,0|2,0,1]=4 659 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [1,0,0,0,0,0|2,0,1]=4 660 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [1,0,0,0,0,0|2,0,1]=4 661 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [1,0,0,0,0,0|2,0,1]=4 662 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [1,0,0,0,0,0|2,0,1]=4 663 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [1,0,0,0,0,0|1,0,0]=2 664 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [1,0,0,0,0,0|1,0,0]=2 665 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [1,0,0,0,0,0|1,0,0]=2 666 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [1,0,0,0,0,0|1,0,0]=2 667 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [1,0,0,0,0,0|1,0,0]=2 668 B13R1.44 CCCNC(C)Cc1cnccn1 2230a_100011277835_100000210303 [1,0,0,0,0,0|2,0,0]=3 669 B13R1.44 CCCNC(C)Cc1cnccn1 270004a_100020643023_100015184882 [1,0,0,0,0,0|2,0,0]=3 670 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [1,0,0,0,0,0|1,0,0]=2 671 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [1,0,0,0,0,0|1,0,0]=2 672 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [1,0,0,0,0,0|1,0,0]=2 673 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [1,0,0,0,0,0|1,0,0]=2 674 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [1,0,0,0,0,0|1,0,0]=2 675 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [1,0,0,0,0,0|3,0,0]=4 676 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [1,0,0,0,0,0|3,0,0]=4 677 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [1,0,0,0,0,0|3,0,0]=4 678 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [1,0,0,0,0,0|3,0,0]=4 679 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [1,0,0,0,0,0|2,0,0]=3 680 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [1,0,0,0,0,0|2,0,0]=3 681 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [1,0,0,0,0,0|3,0,0]=4 682 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [1,0,0,0,0,0|3,0,0]=4 683 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [1,0,0,0,0,0|3,0,0]=4 684 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [1,0,0,0,0,0|3,0,0]=4 685 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [1,0,0,0,0,0|3,0,0]=4 686 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [1,0,0,0,0,0|3,0,0]=4 687 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [1,0,0,0,0,0|3,0,0]=4 688 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [1,0,0,0,0,0|2,0,1]=4 689 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [1,0,0,0,0,0|2,0,1]=4 690 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [1,0,0,0,0,0|2,0,1]=4 691 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [1,0,0,0,0,0|2,0,1]=4 692 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [1,0,0,0,0,0|2,0,1]=4 693 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [1,0,0,0,0,0|1,1,0]=3 694 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [1,0,0,0,0,0|1,1,0]=3 695 B13R1.44 CN(CCCF)Cc1ccccn1 2230a_100000207498_100011934791 [1,0,0,0,0,0|2,1,0]=4 696 B13R1.44 CN(CCCF)Cc1ccccn1 269982a_100000207498_100011934791 [1,0,0,0,0,0|2,1,0]=4 697 B13R1.44 CN(CCCF)Cc1cccnc1 2230a_100000184577_100011934791 [1,0,0,0,0,0|2,1,0]=4 698 B13R1.44 CN(CCCF)Cc1cccnc1 269982a_100000184577_100011934791 [1,0,0,0,0,0|2,1,0]=4 699 B13R1.44 CN(CCCF)Cc1ccncc1 2230a_100000187231_100011934791 [1,0,0,0,0,0|2,1,0]=4 700 B13R1.44 CN(CCCF)Cc1ccncc1 269982a_100000187231_100011934791 [1,0,0,0,0,0|2,1,0]=4 701 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [1,0,0,0,0,0|2,0,0]=3 702 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [1,0,0,0,0,0|2,0,0]=3 703 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [1,0,0,0,0,0|2,0,0]=3 704 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [1,0,0,0,0,0|2,0,0]=3 705 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [1,0,0,0,0,0|2,0,0]=3 706 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [1,0,0,0,0,0|2,0,0]=3 707 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [1,0,0,0,0,0|2,0,0]=3 708 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000200612_200000210301 [1,0,0,0,0,0|3,0,0]=4 709 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000207498_100000230001 [1,0,0,0,0,0|3,0,0]=4 710 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000213112_100000721315 [1,0,0,0,0,0|3,0,0]=4 711 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000200612_200000210301 [1,0,0,0,0,0|3,0,0]=4 712 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000207498_100011215043 [1,0,0,0,0,0|3,0,0]=4 713 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000213112_100000721315 [1,0,0,0,0,0|3,0,0]=4 714 B13R1.44 CN(CCCO)Cc1ccccn1 270004a_100000213112_100000209966 [1,0,0,0,0,0|3,0,0]=4 715 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000184577_100000230001 [1,0,0,0,0,0|3,0,0]=4 716 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000213112_100000741622 [1,0,0,0,0,0|3,0,0]=4 717 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_114849113521_200000210301 [1,0,0,0,0,0|3,0,0]=4 718 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000184577_100011215043 [1,0,0,0,0,0|3,0,0]=4 719 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000213112_100000733263 [1,0,0,0,0,0|3,0,0]=4 720 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_114849113521_200000210301 [1,0,0,0,0,0|3,0,0]=4 721 B13R1.44 CN(CCCO)Cc1cccnc1 270004a_100000213112_100000209961 [1,0,0,0,0,0|3,0,0]=4 722 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000187231_100000230001 [1,0,0,0,0,0|3,0,0]=4 723 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000213112_100015193705 [1,0,0,0,0,0|3,0,0]=4 724 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_106638131412_200000210301 [1,0,0,0,0,0|3,0,0]=4 725 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000187231_100011215043 [1,0,0,0,0,0|3,0,0]=4 726 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000213112_100015193705 [1,0,0,0,0,0|3,0,0]=4 727 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_106638131412_200000210301 [1,0,0,0,0,0|3,0,0]=4 728 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [1,0,0,0,0,0|3,0,0]=4 729 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [1,0,0,0,0,0|3,0,0]=4 730 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [1,0,0,0,0,0|3,0,0]=4 731 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [1,0,0,0,0,0|3,0,0]=4 732 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [1,0,0,0,0,0|3,0,0]=4 733 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [1,0,0,0,0,0|3,0,0]=4 734 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [1,0,0,0,0,0|3,0,0]=4 735 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [1,0,0,0,0,0|3,0,0]=4 736 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [1,0,0,0,0,0|3,0,0]=4 737 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [1,0,0,0,0,0|3,0,0]=4 738 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [1,0,0,0,0,0|2,0,0]=3 739 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [1,0,0,0,0,0|2,0,0]=3 740 B13R1.44 COCNC(C)Cc1cnccn1 2230a_100011277835_100000766300 [1,0,0,0,0,0|3,0,0]=4 741 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [1,0,0,0,0,0|2,0,0]=3 742 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [1,0,0,0,0,0|2,0,0]=3 743 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [1,0,0,0,0,0|3,0,0]=4 744 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [1,0,0,0,0,0|3,0,0]=4 745 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [1,0,0,0,0,0|3,0,0]=4 746 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [1,0,0,0,0,0|3,0,0]=4 747 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [1,0,0,0,0,0|3,0,0]=4 748 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [1,0,0,0,0,0|3,0,0]=4 749 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [1,0,0,0,0,0|2,0,0]=3 750 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [1,0,0,0,0,0|2,0,0]=3 751 B13R1.44 CSCNC(C)Cc1cnccn1 2230a_100011277835_100011218213 [1,0,0,0,0,0|3,0,0]=4 752 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [1,0,0,0,0,0|2,0,0]=3 753 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [1,0,0,0,0,0|2,0,0]=3 754 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [1,0,0,0,0,0|2,0,0]=3 755 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [1,0,0,0,0,0|2,1,0]=4 756 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [1,0,0,0,0,0|2,1,0]=4 757 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [1,0,0,0,0,0|2,1,0]=4 758 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [1,0,0,0,0,0|2,0,1]=4 759 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [1,0,0,0,0,0|2,0,0]=3 760 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [1,0,0,0,0,0|2,0,0]=3 761 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 2230a_100000200612_200025704644 [1,0,0,0,0,0|3,0,0]=4 762 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 269982a_100000200612_200025704644 [1,0,0,0,0,0|3,0,0]=4 763 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 2230a_114849113521_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 269982a_114849113521_200025704644 [1,0,0,0,0,0|3,0,0]=4 765 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 2230a_106638131412_200025704644 [1,0,0,0,0,0|3,0,0]=4 766 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 269982a_106638131412_200025704644 [1,0,0,0,0,0|3,0,0]=4 767 B15R1.83 C#CCCCCN(C)Cc1ccccc1 2230a_100000186898_100010269958 [0,1,0,0,0,0|3,0,0]=4 768 B15R1.83 C#CCCCCN(C)Cc1ccccc1 269982a_100000186898_100010269958 [0,1,0,0,0,0|3,0,0]=4 769 B15R1.83 C#CCCCNC(C)C[n+]1ccccc1 270004a_100000718082_100000034229 [0,1,0,0,0,0|2,0,0]=3 770 B15R1.83 C#CCCCNC(C)Cc1ccccc1 34a_100000718082_200011218536 [0,1,0,0,0,0|1,0,0]=2 771 B15R1.83 C#CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000731252 [0,1,0,0,0,0|2,0,0]=3 772 B15R1.83 C#CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000731252 [0,1,0,0,0,0|2,0,0]=3 773 B15R1.83 C#CCCCNC(C)Cc1cccnc1 270004a_100000718082_100015187140 [0,1,0,0,0,0|2,0,0]=3 774 B15R1.83 C#CCCCNC(C)Cc1ccncc1 270004a_100000718082_100000238508 [0,1,0,0,0,0|2,0,0]=3 775 B15R1.83 C#CCCCNC(C)Cc1cnccn1 2230a_100011277835_100000731252 [0,1,0,0,0,0|3,0,0]=4 776 B15R1.83 C#CCCCNC(C)Cc1cnccn1 270004a_100000718082_100015184882 [0,1,0,0,0,0|3,0,0]=4 777 B15R1.83 C#CCCCOC(C)Cc1ccccc1 34a_100000215630_200011218536 [0,1,0,0,0,0|2,0,0]=3 778 B15R1.83 C#CCCCOC(C)Cc1ccccc1 34a_100000748627_100000695029 [0,1,0,0,0,0|2,0,0]=3 779 B15R1.83 C#CCCCOC(C)Cc1ccccc1 7a_100000215630_200011218536 [0,1,0,0,0,0|2,0,0]=3 780 B15R1.83 C#CCCCOC(C)Cc1ccccc1 7a_100000748627_100011215417 [0,1,0,0,0,0|2,0,0]=3 781 B15R1.83 C#CCCCSC(C)Cc1ccccc1 62a_100011215417_200011218536 [0,1,0,0,0,0|2,0,0]=3 782 B15R1.83 C#CCCCSC(C)Cc1ccccc1 62a_200011218536_100011215417 [0,1,0,0,0,0|2,0,0]=3 783 B15R1.83 C#CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000688953 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.83 C#CCCNCC(C)Oc1ccccc1 34a_100000755676_100000688953 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.83 C#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000688953 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.83 C#CCCNC[C@@H](O)Cc1ccccc1 34a_100000755551_100000729385 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.83 C#CCCOCC(C)Cc1ccccc1 34a_100012125295_100000688953 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.83 C#CCCOCC(C)Cc1ccccc1 7a_100012125295_100000688953 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.83 C/C=C/CCOC(C)Cc1ccccc1 34a_100016278192_200011218536 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.83 C=CCCCCN(C)Cc1ccccc1 2230a_100000186898_100011215482 [0,1,0,0,0,0|3,0,0]=4 791 B15R1.83 C=CCCCCN(C)Cc1ccccc1 2230a_100012000471_100015291786 [0,1,0,0,0,0|3,0,0]=4 792 B15R1.83 C=CCCCCN(C)Cc1ccccc1 269982a_100000186898_100011215482 [0,1,0,0,0,0|3,0,0]=4 793 B15R1.83 C=CCCCCN(C)Cc1ccccc1 269982a_100012000471_100000211182 [0,1,0,0,0,0|3,0,0]=4 794 B15R1.83 C=CCCCCN(C)Cc1ccccc1 270004a_100012000471_100015611070 [0,1,0,0,0,0|3,0,0]=4 795 B15R1.83 C=CCCCNC(C)C[n+]1ccccc1 270004a_100000700776_100000034229 [0,1,0,0,0,0|2,0,0]=3 796 B15R1.83 C=CCCCNC(C)Cc1ccccc1 34a_100000700776_200011218536 [0,1,0,0,0,0|1,0,0]=2 797 B15R1.83 C=CCCCNC(C)Cc1ccccn1 2230a_100000238496_100011713584 [0,1,0,0,0,0|2,0,0]=3 798 B15R1.83 C=CCCCNC(C)Cc1cccnc1 2230a_100011207255_100011713584 [0,1,0,0,0,0|2,0,0]=3 799 B15R1.83 C=CCCCNC(C)Cc1cccnc1 270004a_100000700776_100015187140 [0,1,0,0,0,0|2,0,0]=3 800 B15R1.83 C=CCCCNC(C)Cc1ccncc1 270004a_100000700776_100000238508 [0,1,0,0,0,0|2,0,0]=3 801 B15R1.83 C=CCCCNC(C)Cc1cnccn1 2230a_100011277835_100011713584 [0,1,0,0,0,0|3,0,0]=4 802 B15R1.83 C=CCCCNC(C)Cc1cnccn1 270004a_100000700776_100015184882 [0,1,0,0,0,0|3,0,0]=4 803 B15R1.83 C=CCCCOC(C)Cc1ccccc1 34a_100000748627_100000757094 [0,1,0,0,0,0|2,0,0]=3 804 B15R1.83 C=CCCCOC(C)Cc1ccccc1 34a_100000758997_200011218536 [0,1,0,0,0,0|2,0,0]=3 805 B15R1.83 C=CCCCOC(C)Cc1ccccc1 7a_100000748627_100000757094 [0,1,0,0,0,0|2,0,0]=3 806 B15R1.83 C=CCCCOC(C)Cc1ccccc1 7a_100000758997_200011218536 [0,1,0,0,0,0|2,0,0]=3 807 B15R1.83 C=CCCCSC(C)Cc1ccccc1 62a_100011713584_200011218536 [0,1,0,0,0,0|2,0,0]=3 808 B15R1.83 C=CCCCSC(C)Cc1ccccc1 62a_200011218536_100000757094 [0,1,0,0,0,0|2,0,0]=3 809 B15R1.83 C=CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000754431 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.83 C=CCCNCC(C)Oc1ccccc1 34a_100000755676_100000754431 [0,1,0,0,0,0|2,0,1]=4 811 B15R1.83 C=CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000754431 [0,1,0,0,0,0|2,0,1]=4 812 B15R1.83 C=CCCNC[C@@H](O)Cc1ccccc1 2230a_100015191253_100000729385 [0,1,0,0,0,0|2,0,1]=4 813 B15R1.83 C=CCCOCC(C)Cc1ccccc1 34a_100012125295_100000754431 [0,1,0,0,0,0|2,0,1]=4 814 B15R1.83 C=CCCOCC(C)Cc1ccccc1 7a_100012125295_100000754431 [0,1,0,0,0,0|2,0,1]=4 815 B15R1.83 C=COCCNC(C)Cc1ccccn1 2230a_100000238496_100000039644 [0,1,0,0,0,0|2,0,1]=4 816 B15R1.83 C=COCCNC(C)Cc1cccnc1 2230a_100011207255_100000039644 [0,1,0,0,0,0|2,0,1]=4 817 B15R1.83 C=COCCOC(C)Cc1ccccc1 34a_100000033082_200011218536 [0,1,0,0,0,0|2,0,1]=4 818 B15R1.83 C=COCCOC(C)Cc1ccccc1 34a_100000748627_100000039644 [0,1,0,0,0,0|2,0,1]=4 819 B15R1.83 C=COCCOC(C)Cc1ccccc1 7a_100000748627_100000039644 [0,1,0,0,0,0|2,0,1]=4 820 B15R1.83 C=COCCSC(C)Cc1ccccc1 62a_100000039644_200011218536 [0,1,0,0,0,0|2,0,1]=4 821 B15R1.83 C=COCCSC(C)Cc1ccccc1 62a_200011218536_100000039644 [0,1,0,0,0,0|2,0,1]=4 822 B15R1.83 CC#CCCOC(C)Cc1ccccc1 34a_100000750427_200011218536 [0,1,0,0,0,0|2,0,1]=4 823 B15R1.83 CC(CNCCC#N)Oc1ccccc1 2230a_100000755676_100011215226 [0,1,0,0,0,0|2,0,1]=4 824 B15R1.83 CC(CNCCCF)Oc1ccccc1 2230a_100000755676_100011934791 [0,1,0,0,0,0|1,1,0]=3 825 B15R1.83 CC(CNCCCF)Oc1ccccc1 34a_100000755676_100011934791 [0,1,0,0,0,0|1,1,0]=3 826 B15R1.83 CC(CNCCCF)Oc1cccnc1 2230a_200011219418_100011934791 [0,1,0,0,0,0|2,1,0]=4 827 B15R1.83 CC(CNCCCO)Oc1ccccc1 2230a_100000755676_100000230001 [0,1,0,0,0,0|2,0,0]=3 828 B15R1.83 CC(CNCCCO)Oc1ccccc1 34a_100000755676_100000230001 [0,1,0,0,0,0|2,0,0]=3 829 B15R1.83 CC(CNCCCO)Oc1cccnc1 2230a_200011219418_100000230001 [0,1,0,0,0,0|3,0,0]=4 830 B15R1.83 CC(COCCC#N)Cc1ccccc1 7a_100012125295_100000184422 [0,1,0,0,0,0|2,0,1]=4 831 B15R1.83 CC(COCCCF)Cc1ccccc1 34a_100012125295_100011934791 [0,1,0,0,0,0|1,1,0]=3 832 B15R1.83 CC(COCCCF)Cc1ccccc1 7a_100012125295_100011934791 [0,1,0,0,0,0|1,1,0]=3 833 B15R1.83 CC(COCCCF)Oc1ccccc1 34a_200000036796_100011934791 [0,1,0,0,0,0|2,1,0]=4 834 B15R1.83 CC(COCCCF)Oc1ccccc1 7a_200000036796_100011934791 [0,1,0,0,0,0|2,1,0]=4 835 B15R1.83 CC(COCCCO)Cc1ccccc1 34a_100012125295_100000230001 [0,1,0,0,0,0|2,0,0]=3 836 B15R1.83 CC(COCCCO)Cc1ccccc1 7a_100012125295_100011215043 [0,1,0,0,0,0|2,0,0]=3 837 B15R1.83 CC(COCCCO)Oc1ccccc1 34a_200000036796_100000230001 [0,1,0,0,0,0|3,0,0]=4 838 B15R1.83 CC(COCCCO)Oc1ccccc1 7a_200000036796_100011215043 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.83 CC(C[n+]1ccccc1)NCCCCO 270004a_100000750430_100000034229 [0,1,0,0,0,0|2,0,0]=3 840 B15R1.83 CC(Cc1ccccc1)NCCCCO 34a_100000750430_200011218536 [0,1,0,0,0,0|1,0,0]=2 841 B15R1.83 CC(Cc1ccccc1)OCC#CCCl 34a_200000047223_200011218536 [0,1,0,0,0,0|1,0,1]=3 842 B15R1.83 CC(Cc1ccccc1)OCC#CCO 34a_100000748627_200000047223 [0,1,0,0,0,0|2,0,1]=4 843 B15R1.83 CC(Cc1ccccc1)OCC#CCO 7a_100000748627_200000047223 [0,1,0,0,0,0|2,0,1]=4 844 B15R1.83 CC(Cc1ccccc1)OCCCC#N 7a_100000748627_100000687738 [0,1,0,0,0,0|2,0,0]=3 845 B15R1.83 CC(Cc1ccccc1)OCCCC=O 7a_100000748627_200011292268 [0,1,0,0,0,0|2,0,0]=3 846 B15R1.83 CC(Cc1ccccc1)OCCCCBr 34a_100011216708_200011218536 [0,1,0,0,0,0|1,1,0]=3 847 B15R1.83 CC(Cc1ccccc1)OCCCCCl 34a_100000210776_200011218536 [0,1,0,0,0,0|1,0,0]=2 848 B15R1.83 CC(Cc1ccccc1)OCCCCCl 7a_100000210776_200011218536 [0,1,0,0,0,0|1,0,0]=2 849 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100000748627_100000729493 [0,1,0,0,0,0|1,1,0]=3 850 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100011995726_200011218536 [0,1,0,0,0,0|1,1,0]=3 851 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100000748627_100000729493 [0,1,0,0,0,0|1,1,0]=3 852 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100011995726_200011218536 [0,1,0,0,0,0|1,1,0]=3 853 B15R1.83 CC(Cc1ccccc1)OCCCCI 34a_200012148704_200011218536 [0,1,0,0,0,0|1,1,0]=3 854 B15R1.83 CC(Cc1ccccc1)OCCCCN 34a_100000750430_200011218536 [0,1,0,0,0,0|2,0,0]=3 855 B15R1.83 CC(Cc1ccccc1)OCCCCO 34a_100000748627_100011216708 [0,1,0,0,0,0|2,0,0]=3 856 B15R1.83 CC(Cc1ccccc1)OCCCCO 7a_100000748627_100000210776 [0,1,0,0,0,0|2,0,0]=3 857 B15R1.83 CC(Cc1ccccc1)SCC#CCO 62a_200000047223_200011218536 [0,1,0,0,0,0|2,0,1]=4 858 B15R1.83 CC(Cc1ccccc1)SCC#CCO 62a_200011218536_200000047223 [0,1,0,0,0,0|2,0,1]=4 859 B15R1.83 CC(Cc1ccccc1)SCCCC#N 62a_100000687738_200011218536 [0,1,0,0,0,0|2,0,0]=3 860 B15R1.83 CC(Cc1ccccc1)SCCCC#N 62a_200011218536_100000687738 [0,1,0,0,0,0|2,0,0]=3 861 B15R1.83 CC(Cc1ccccc1)SCCCC=O 62a_200011218536_200011292268 [0,1,0,0,0,0|2,0,0]=3 862 B15R1.83 CC(Cc1ccccc1)SCCCC=O 62a_200011292268_200011218536 [0,1,0,0,0,0|2,0,0]=3 863 B15R1.83 CC(Cc1ccccc1)SCCCCF 62a_100000729493_200011218536 [0,1,0,0,0,0|1,1,0]=3 864 B15R1.83 CC(Cc1ccccc1)SCCCCF 62a_200011218536_100000729493 [0,1,0,0,0,0|1,1,0]=3 865 B15R1.83 CC(Cc1ccccc1)SCCCCO 62a_100000210776_200011218536 [0,1,0,0,0,0|2,0,0]=3 866 B15R1.83 CC(Cc1ccccc1)SCCCCO 62a_200011218536_100000210776 [0,1,0,0,0,0|2,0,0]=3 867 B15R1.83 CC(Cc1ccccc1)SCCSC#N 62a_100000034367_200011218536 [0,1,0,0,0,0|2,0,1]=4 868 B15R1.83 CC(Cc1ccccc1)SCCSC#N 62a_200011218536_100000034367 [0,1,0,0,0,0|2,0,1]=4 869 B15R1.83 CC(Cc1ccccn1)NCC#CCO 2230a_100000238496_200000047223 [0,1,0,0,0,0|2,0,1]=4 870 B15R1.83 CC(Cc1ccccn1)NCCCC#N 2230a_100000238496_100000687738 [0,1,0,0,0,0|2,0,0]=3 871 B15R1.83 CC(Cc1ccccn1)NCCCC=O 2230a_100000238496_200011292268 [0,1,0,0,0,0|2,0,0]=3 872 B15R1.83 CC(Cc1ccccn1)NCCCCF 2230a_100000238496_100000729493 [0,1,0,0,0,0|1,1,0]=3 873 B15R1.83 CC(Cc1ccccn1)NCCCCO 2230a_100000238496_100000210776 [0,1,0,0,0,0|2,0,0]=3 874 B15R1.83 CC(Cc1cccnc1)NCC#CCO 2230a_100011207255_200000047223 [0,1,0,0,0,0|2,0,1]=4 875 B15R1.83 CC(Cc1cccnc1)NCCCC#N 2230a_100011207255_100000687738 [0,1,0,0,0,0|2,0,0]=3 876 B15R1.83 CC(Cc1cccnc1)NCCCC=O 2230a_100011207255_200011292268 [0,1,0,0,0,0|2,0,0]=3 877 B15R1.83 CC(Cc1cccnc1)NCCCCF 2230a_100011207255_100000729493 [0,1,0,0,0,0|1,1,0]=3 878 B15R1.83 CC(Cc1cccnc1)NCCCCO 2230a_100011207255_100000210776 [0,1,0,0,0,0|2,0,0]=3 879 B15R1.83 CC(Cc1cccnc1)NCCCCO 270004a_100000750430_100015187140 [0,1,0,0,0,0|2,0,0]=3 880 B15R1.83 CC(Cc1ccncc1)NCCCCO 270004a_100000750430_100000238508 [0,1,0,0,0,0|2,0,0]=3 881 B15R1.83 CC(Cc1cnccn1)NCCCC#N 2230a_100011277835_100000687738 [0,1,0,0,0,0|3,0,0]=4 882 B15R1.83 CC(Cc1cnccn1)NCCCC=O 2230a_100011277835_200011292268 [0,1,0,0,0,0|3,0,0]=4 883 B15R1.83 CC(Cc1cnccn1)NCCCCF 2230a_100011277835_100000729493 [0,1,0,0,0,0|2,1,0]=4 884 B15R1.83 CC(Cc1cnccn1)NCCCCO 2230a_100011277835_100000210776 [0,1,0,0,0,0|3,0,0]=4 885 B15R1.83 CC(Cc1cnccn1)NCCCCO 270004a_100000750430_100015184882 [0,1,0,0,0,0|3,0,0]=4 886 B15R1.83 CC/C=C\CNC(C)Cc1ccccn1 2230a_100000238496_100103147603 [0,1,0,0,0,0|2,0,1]=4 887 B15R1.83 CC/C=C\CNC(C)Cc1cccnc1 2230a_100011207255_100103147603 [0,1,0,0,0,0|2,0,1]=4 888 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 34a_100000748627_100103147603 [0,1,0,0,0,0|2,0,1]=4 889 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 34a_100016268518_200011218536 [0,1,0,0,0,0|2,0,1]=4 890 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 7a_100000748627_100103147603 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.83 CC/C=C\CSC(C)Cc1ccccc1 62a_100103147603_200011218536 [0,1,0,0,0,0|2,0,1]=4 892 B15R1.83 CC/C=C\CSC(C)Cc1ccccc1 62a_200011218536_100103147603 [0,1,0,0,0,0|2,0,1]=4 893 B15R1.83 CCC#CCNC(C)Cc1ccccn1 2230a_100000238496_100009813939 [0,1,0,0,0,0|2,0,1]=4 894 B15R1.83 CCC#CCNC(C)Cc1cccnc1 2230a_100011207255_100009813939 [0,1,0,0,0,0|2,0,1]=4 895 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000032950_200011218536 [0,1,0,0,0,0|2,0,1]=4 896 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000748627_100009813939 [0,1,0,0,0,0|2,0,1]=4 897 B15R1.83 CCC#CCOC(C)Cc1ccccc1 7a_100000748627_100009813939 [0,1,0,0,0,0|2,0,1]=4 898 B15R1.83 CCC#CCSC(C)Cc1ccccc1 62a_100009813939_200011218536 [0,1,0,0,0,0|2,0,1]=4 899 B15R1.83 CCC#CCSC(C)Cc1ccccc1 62a_200011218536_100009813939 [0,1,0,0,0,0|2,0,1]=4 900 B15R1.83 CCCCCCC(C)Nc1ccccc1 34a_100000106764_100011215978 [0,1,0,0,0,0|3,0,0]=4 901 B15R1.83 CCCCCCC(C)Oc1ccccc1 34a_100000210340_100011215978 [0,1,0,0,0,0|3,0,0]=4 902 B15R1.83 CCCCCCC(C)Oc1ccccc1 7a_100000210340_100011215978 [0,1,0,0,0,0|3,0,0]=4 903 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100000719477_100011215978 [0,1,0,0,0,0|3,0,0]=4 904 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100011215978_100000041952 [0,1,0,0,0,0|3,0,0]=4 905 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210314 [0,1,0,0,0,0|3,0,0]=4 906 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_106256046315_100015291786 [0,1,0,0,0,0|3,0,0]=4 907 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210757 [0,1,0,0,0,0|3,0,0]=4 908 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_106256046315_100000211182 [0,1,0,0,0,0|3,0,0]=4 909 B15R1.83 CCCCCCN(C)Cc1ccccc1 270004a_106256046315_100015611070 [0,1,0,0,0,0|3,0,0]=4 910 B15R1.83 CCCCCNC(C)C[n+]1ccccc1 270004a_100000209983_100000034229 [0,1,0,0,0,0|2,0,0]=3 911 B15R1.83 CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210326 [0,1,0,0,0,0|2,0,0]=3 912 B15R1.83 CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210326 [0,1,0,0,0,0|2,0,0]=3 913 B15R1.83 CCCCCNC(C)Cc1cccnc1 270004a_100000209983_100015187140 [0,1,0,0,0,0|2,0,0]=3 914 B15R1.83 CCCCCNC(C)Cc1ccncc1 270004a_100000209983_100000238508 [0,1,0,0,0,0|2,0,0]=3 915 B15R1.83 CCCCCNC(C)Cc1cnccn1 2230a_100011277835_100000210326 [0,1,0,0,0,0|3,0,0]=4 916 B15R1.83 CCCCCNC(C)Cc1cnccn1 270004a_100000209983_100015184882 [0,1,0,0,0,0|3,0,0]=4 917 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [0,1,0,0,0,0|2,0,0]=3 918 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [0,1,0,0,0,0|2,0,0]=3 919 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [0,1,0,0,0,0|2,0,0]=3 920 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [0,1,0,0,0,0|2,0,0]=3 921 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_100000210326_200011218536 [0,1,0,0,0,0|2,0,0]=3 922 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210326 [0,1,0,0,0,0|2,0,0]=3 923 B15R1.83 CCCCNCC(=O)Cc1ccccc1 2230a_100000102301_100000233483 [0,1,0,0,0,0|2,0,1]=4 924 B15R1.83 CCCCNCC(=O)Cc1ccccc1 7a_106832991798_100000233483 [0,1,0,0,0,0|2,0,1]=4 925 B15R1.83 CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210211 [0,1,0,0,0,0|2,0,0]=3 926 B15R1.83 CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000210210 [0,1,0,0,0,0|2,0,0]=3 927 B15R1.83 CCCCNCC(C)Oc1cccnc1 2230a_200011219418_100000210211 [0,1,0,0,0,0|3,0,0]=4 928 B15R1.83 CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210211 [0,1,0,0,0,0|2,0,0]=3 929 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 2230a_100000102301_100000729385 [0,1,0,0,0,0|2,0,0]=3 930 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 7a_106832991798_100000729385 [0,1,0,0,0,0|2,0,0]=3 931 B15R1.83 CCCCNN=C(C)C[n+]1ccccc1 4a_100025702795_100000034229 [0,1,0,0,0,0|2,0,1]=4 932 B15R1.83 CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210210 [0,1,0,0,0,0|2,0,0]=3 933 B15R1.83 CCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210211 [0,1,0,0,0,0|2,0,0]=3 934 B15R1.83 CCCCOCC(C)Oc1ccccc1 34a_200000036796_100000210210 [0,1,0,0,0,0|3,0,0]=4 935 B15R1.83 CCCCOCC(C)Oc1ccccc1 7a_200000036796_100000210211 [0,1,0,0,0,0|3,0,0]=4 936 B15R1.83 CCCCOCC(N)Cc1ccccc1 34a_100000739027_100000210210 [0,1,0,0,0,0|3,0,0]=4 937 B15R1.83 CCCCOCN(C)Cc1ccccc1 2230a_100000186898_100011995733 [0,1,0,0,0,0|3,0,0]=4 938 B15R1.83 CCCCOCN(C)Cc1ccccc1 269982a_100000186898_100011995733 [0,1,0,0,0,0|3,0,0]=4 939 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 34a_100000210227_100000729385 [0,1,0,0,0,0|3,0,0]=4 940 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 7a_100000210227_100000729385 [0,1,0,0,0,0|3,0,0]=4 941 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000210211_100000729385 [0,1,0,0,0,0|3,0,0]=4 942 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210210 [0,1,0,0,0,0|3,0,0]=4 943 B15R1.83 CCCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215938 [0,1,0,0,0,0|3,0,0]=4 944 B15R1.83 CCCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215938 [0,1,0,0,0,0|3,0,0]=4 945 B15R1.83 CCCOCCN(C)Cc1ccccc1 34a_100000210258_100015196923 [0,1,0,0,0,0|3,0,0]=4 946 B15R1.83 CCCSCCN(C)Cc1ccccc1 62a_100000210303_100015196923 [0,1,0,0,0,0|3,0,0]=4 947 B15R1.83 CCOCCCN(C)Cc1ccccc1 2230a_100000186898_100012232248 [0,1,0,0,0,0|3,0,0]=4 948 B15R1.83 CCOCCCN(C)Cc1ccccc1 269982a_100000186898_100012232248 [0,1,0,0,0,0|3,0,0]=4 949 B15R1.83 CCOCCNC(C)C[n+]1ccccc1 270004a_102516460346_100000034229 [0,1,0,0,0,0|2,0,0]=3 950 B15R1.83 CCOCCNC(C)Cc1ccccc1 34a_102516460346_200011218536 [0,1,0,0,0,0|1,0,0]=2 951 B15R1.83 CCOCCNC(C)Cc1ccccn1 2230a_100000238496_100011215890 [0,1,0,0,0,0|2,0,0]=3 952 B15R1.83 CCOCCNC(C)Cc1cccnc1 2230a_100011207255_100011215890 [0,1,0,0,0,0|2,0,0]=3 953 B15R1.83 CCOCCNC(C)Cc1cccnc1 270004a_102516460346_100015187140 [0,1,0,0,0,0|2,0,0]=3 954 B15R1.83 CCOCCNC(C)Cc1ccncc1 270004a_102516460346_100000238508 [0,1,0,0,0,0|2,0,0]=3 955 B15R1.83 CCOCCNC(C)Cc1cnccn1 2230a_100011277835_100011215890 [0,1,0,0,0,0|3,0,0]=4 956 B15R1.83 CCOCCNC(C)Cc1cnccn1 270004a_102516460346_100015184882 [0,1,0,0,0,0|3,0,0]=4 957 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000210136_200011218536 [0,1,0,0,0,0|2,0,0]=3 958 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000748627_100000210147 [0,1,0,0,0,0|2,0,0]=3 959 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000210136_200011218536 [0,1,0,0,0,0|2,0,0]=3 960 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215890 [0,1,0,0,0,0|2,0,0]=3 961 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_100000210147_200011218536 [0,1,0,0,0,0|2,0,0]=3 962 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_200011218536_100011215890 [0,1,0,0,0,0|2,0,0]=3 963 B15R1.83 CCSCCNC(C)C[n+]1ccccc1 270004a_100000106463_100000034229 [0,1,0,0,0,0|2,0,0]=3 964 B15R1.83 CCSCCNC(C)Cc1ccccn1 2230a_100000238496_100000757381 [0,1,0,0,0,0|2,0,0]=3 965 B15R1.83 CCSCCNC(C)Cc1cccnc1 2230a_100011207255_100000757381 [0,1,0,0,0,0|2,0,0]=3 966 B15R1.83 CCSCCNC(C)Cc1cccnc1 270004a_100000106463_100015187140 [0,1,0,0,0,0|2,0,0]=3 967 B15R1.83 CCSCCNC(C)Cc1ccncc1 270004a_100000106463_100000238508 [0,1,0,0,0,0|2,0,0]=3 968 B15R1.83 CCSCCNC(C)Cc1cnccn1 2230a_100011277835_100000757381 [0,1,0,0,0,0|3,0,0]=4 969 B15R1.83 CCSCCNC(C)Cc1cnccn1 270004a_100000106463_100015184882 [0,1,0,0,0,0|3,0,0]=4 970 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000212035_200011218536 [0,1,0,0,0,0|2,0,0]=3 971 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000748627_100000757381 [0,1,0,0,0,0|2,0,0]=3 972 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000212035_200011218536 [0,1,0,0,0,0|2,0,0]=3 973 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000748627_100000757381 [0,1,0,0,0,0|2,0,0]=3 974 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_100000757381_200011218536 [0,1,0,0,0,0|2,0,0]=3 975 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_200011218536_100000757381 [0,1,0,0,0,0|2,0,0]=3 976 B15R1.83 CN(CCCCC#N)Cc1ccccc1 2230a_100000186898_100000211819 [0,1,0,0,0,0|3,0,0]=4 977 B15R1.83 CN(CCCCC#N)Cc1ccccc1 269982a_100000186898_100011219923 [0,1,0,0,0,0|3,0,0]=4 978 B15R1.83 CN(CCCCC=O)Cc1ccccc1 2230a_100000186898_100000139335 [0,1,0,0,0,0|3,0,0]=4 979 B15R1.83 CN(CCCCC=O)Cc1ccccc1 269982a_100000186898_100000139335 [0,1,0,0,0,0|3,0,0]=4 980 B15R1.83 CN(CCCCCF)Cc1ccccc1 2230a_100000186898_100000729378 [0,1,0,0,0,0|2,1,0]=4 981 B15R1.83 CN(CCCCCF)Cc1ccccc1 269982a_100000186898_100000729378 [0,1,0,0,0,0|2,1,0]=4 982 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100000186898_100000746330 [0,1,0,0,0,0|3,0,0]=4 983 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100000722520_100015291786 [0,1,0,0,0,0|3,0,0]=4 984 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100011629535_200000210301 [0,1,0,0,0,0|3,0,0]=4 985 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100000186898_100000746330 [0,1,0,0,0,0|3,0,0]=4 986 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100000722520_100000211182 [0,1,0,0,0,0|3,0,0]=4 987 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100011629535_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B15R1.83 CN(CCCCCO)Cc1ccccc1 270004a_100000722520_100015611070 [0,1,0,0,0,0|3,0,0]=4 989 B15R1.83 CN(CCCCCO)Cc1ccccc1 34a_100011629535_200000210301 [0,1,0,0,0,0|3,0,0]=4 990 B15R1.83 CN(CCNCCF)Cc1ccccc1 34a_100000724931_100015196923 [0,1,0,0,0,0|2,1,0]=4 991 B15R1.83 CN(CCNCCO)Cc1ccccc1 2230a_100016997473_100015196923 [0,1,0,0,0,0|3,0,0]=4 992 B15R1.83 CN(CCNCCO)Cc1ccccc1 34a_100016990907_100015196923 [0,1,0,0,0,0|3,0,0]=4 993 B15R1.83 CN(CCOCCBr)Cc1ccccc1 34a_100000211926_100015196923 [0,1,0,0,0,0|2,1,0]=4 994 B15R1.83 CN(CCOCCN)Cc1ccccc1 34a_100000210304_100015196923 [0,1,0,0,0,0|3,0,0]=4 995 B15R1.83 CN(CCOCCO)Cc1ccccc1 2230a_100000186898_100011215305 [0,1,0,0,0,0|3,0,0]=4 996 B15R1.83 CN(CCOCCO)Cc1ccccc1 2230a_100000228057_100015291786 [0,1,0,0,0,0|3,0,0]=4 997 B15R1.83 CN(CCOCCO)Cc1ccccc1 269982a_100000186898_100011215305 [0,1,0,0,0,0|3,0,0]=4 998 B15R1.83 CN(CCOCCO)Cc1ccccc1 269982a_100000228057_100000211182 [0,1,0,0,0,0|3,0,0]=4 999 B15R1.83 CN(CCOCCO)Cc1ccccc1 270004a_100000228057_100015611070 [0,1,0,0,0,0|3,0,0]=4 1000 B15R1.83 CN(CCSCCF)Cc1ccccc1 62a_100011217306_100015196923 [0,1,0,0,0,0|2,1,0]=4 1001 B15R1.83 CN(CCSCCO)Cc1ccccc1 62a_100000211926_100015196923 [0,1,0,0,0,0|3,0,0]=4 1002 B15R1.83 CNCCCOC(C)Cc1ccccc1 34a_100000213112_200011218536 [0,1,0,0,0,0|2,0,0]=3 1003 B15R1.83 COCCCCN(C)Cc1ccccc1 2230a_100000186898_100000730899 [0,1,0,0,0,0|3,0,0]=4 1004 B15R1.83 COCCCCN(C)Cc1ccccc1 269982a_100000186898_100000730899 [0,1,0,0,0,0|3,0,0]=4 1005 B15R1.83 COCCCNC(C)C[n+]1ccccc1 270004a_100150723488_100000034229 [0,1,0,0,0,0|2,0,0]=3 1006 B15R1.83 COCCCNC(C)Cc1ccccc1 34a_100150723488_200011218536 [0,1,0,0,0,0|1,0,0]=2 1007 B15R1.83 COCCCNC(C)Cc1ccccn1 2230a_100000238496_100000740836 [0,1,0,0,0,0|2,0,0]=3 1008 B15R1.83 COCCCNC(C)Cc1cccnc1 2230a_100011207255_100000740836 [0,1,0,0,0,0|2,0,0]=3 1009 B15R1.83 COCCCNC(C)Cc1cccnc1 270004a_100150723488_100015187140 [0,1,0,0,0,0|2,0,0]=3 1010 B15R1.83 COCCCNC(C)Cc1ccncc1 270004a_100150723488_100000238508 [0,1,0,0,0,0|2,0,0]=3 1011 B15R1.83 COCCCNC(C)Cc1cnccn1 2230a_100011277835_100000740836 [0,1,0,0,0,0|3,0,0]=4 1012 B15R1.83 COCCCNC(C)Cc1cnccn1 270004a_100150723488_100015184882 [0,1,0,0,0,0|3,0,0]=4 1013 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000740835_200011218536 [0,1,0,0,0,0|2,0,0]=3 1014 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000748627_100000740836 [0,1,0,0,0,0|2,0,0]=3 1015 B15R1.83 COCCCOC(C)Cc1ccccc1 7a_100000748627_100000740836 [0,1,0,0,0,0|2,0,0]=3 1016 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_100000709357_200011218536 [0,1,0,0,0,0|2,0,0]=3 1017 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_200011218536_100000709357 [0,1,0,0,0,0|2,0,0]=3 1018 B15R1.83 COCCNCC(C)Oc1ccccc1 2230a_100000755676_100011201679 [0,1,0,0,0,0|3,0,0]=4 1019 B15R1.83 COCCNCC(C)Oc1ccccc1 34a_100000755676_100011201679 [0,1,0,0,0,0|3,0,0]=4 1020 B15R1.83 COCCNCC(O)Cc1ccccc1 2230a_100000752270_100011201679 [0,1,0,0,0,0|3,0,0]=4 1021 B15R1.83 COCCNC[C@@H](O)Cc1ccccc1 2230a_100000209980_100000729385 [0,1,0,0,0,0|3,0,0]=4 1022 B15R1.83 COCCOCC(C)Cc1ccccc1 34a_100012125295_100011201679 [0,1,0,0,0,0|3,0,0]=4 1023 B15R1.83 COCCOCC(C)Cc1ccccc1 7a_100012125295_100000233755 [0,1,0,0,0,0|3,0,0]=4 1024 B15R1.83 CSCCCNC(C)C[n+]1ccccc1 270004a_100000749238_100000034229 [0,1,0,0,0,0|2,0,0]=3 1025 B15R1.83 CSCCCNC(C)Cc1cccnc1 270004a_100000749238_100015187140 [0,1,0,0,0,0|2,0,0]=3 1026 B15R1.83 CSCCCNC(C)Cc1ccncc1 270004a_100000749238_100000238508 [0,1,0,0,0,0|2,0,0]=3 1027 B15R1.83 CSCCCNC(C)Cc1cnccn1 270004a_100000749238_100015184882 [0,1,0,0,0,0|3,0,0]=4 1028 B15R1.83 CSCCCOC(C)Cc1ccccc1 34a_100000690336_200011218536 [0,1,0,0,0,0|2,0,0]=3 1029 B15R1.83 CSCCCOC(C)Cc1ccccc1 7a_100000690336_200011218536 [0,1,0,0,0,0|2,0,0]=3 1030 B15R1.83 CSCCNCC(C)Oc1ccccc1 2230a_100000755676_100000751147 [0,1,0,0,0,0|3,0,0]=4 1031 B15R1.83 CSCCNCC(C)Oc1ccccc1 34a_100000755676_100000212216 [0,1,0,0,0,0|3,0,0]=4 1032 B15R1.83 CSCCNCC(O)Cc1ccccc1 2230a_100000752270_100000751147 [0,1,0,0,0,0|3,0,0]=4 1033 B15R1.83 CSCCNC[C@@H](O)Cc1ccccc1 2230a_100020590264_100000729385 [0,1,0,0,0,0|3,0,0]=4 1034 B15R1.83 CSCCOCC(C)Cc1ccccc1 34a_100012125295_100000212216 [0,1,0,0,0,0|3,0,0]=4 1035 B15R1.83 CSCCOCC(C)Cc1ccccc1 7a_100012125295_100000212216 [0,1,0,0,0,0|3,0,0]=4 1036 B15R1.83 N#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100011215226 [0,1,0,0,0,0|2,0,1]=4 1037 B15R1.83 NC(COCCCF)Cc1ccccc1 34a_100000739027_100011934791 [0,1,0,0,0,0|2,1,0]=4 1038 B15R1.83 NC(COCCCO)Cc1ccccc1 34a_100000739027_100000230001 [0,1,0,0,0,0|3,0,0]=4 1039 B15R1.83 NCCCOC[C@@H](O)Cc1ccccc1 34a_100000182051_100000729385 [0,1,0,0,0,0|3,0,0]=4 1040 B15R1.83 O=C(CNCCCF)Cc1ccccc1 2230a_100015189416_100000233483 [0,1,0,0,0,0|1,1,1]=4 1041 B15R1.83 OC(CNCCCF)Cc1ccccc1 2230a_100000752270_100011934791 [0,1,0,0,0,0|1,1,0]=3 1042 B15R1.83 OCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000230001 [0,1,0,0,0,0|2,0,0]=3 1043 B15R1.83 OCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215043 [0,1,0,0,0,0|3,0,0]=4 1044 B15R1.83 OCCCSC[C@@H](O)Cc1ccccc1 62a_100011215043_100000729385 [0,1,0,0,0,0|3,0,0]=4 1045 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 2230a_100015189416_100000729385 [0,1,0,0,0,0|1,1,0]=3 1046 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 34a_100015189416_100000729385 [0,1,0,0,0,0|1,1,0]=3 1047 B15R1.83 O[C@H](COCCCBr)Cc1ccccc1 34a_100011217188_100000729385 [0,1,0,0,0,0|2,1,0]=4 1048 B15R1.83 O[C@H](COCCCCl)Cc1ccccc1 34a_100000230001_100000729385 [0,1,0,0,0,0|2,0,0]=3 1049 B15R1.83 O[C@H](COCCCF)Cc1ccccc1 34a_100000759539_100000729385 [0,1,0,0,0,0|2,1,0]=4 1050 B15R1.83 O[C@H](CSCCCF)Cc1ccccc1 62a_100000729385_100011934791 [0,1,0,0,0,0|2,1,0]=4 1051 B15R1.83 O[C@H](CSCCCF)Cc1ccccc1 62a_100011934791_100000729385 [0,1,0,0,0,0|2,1,0]=4 1052 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 2230a_100011629535_200025704644 [0,1,0,0,0,0|3,0,0]=4 1053 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 269982a_100011629535_200025704644 [0,1,0,0,0,0|3,0,0]=4 1054 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 34a_100011629535_200025704644 [0,1,0,0,0,0|3,0,0]=4 1055 B15R1.93 C#CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000688953 [0,1,0,0,0,0|2,0,1]=4 1056 B15R1.93 C=CCCNC(C)C(=O)c1ccccc1 2230a_100015191253_100000239700 [0,1,0,0,0,0|1,0,2]=4 1057 B15R1.93 C=CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000754431 [0,1,0,0,0,0|2,0,1]=4 1058 B15R1.93 CC(NCCCF)C(=O)c1ccccc1 2230a_100015189416_100000239700 [0,1,0,0,0,0|0,1,1]=3 1059 B15R1.93 CC(SCCCF)C(=O)c1ccccc1 62a_100000239700_100011934791 [0,1,0,0,0,0|1,1,1]=4 1060 B15R1.93 CC(SCCCF)C(=O)c1ccccc1 62a_100011934791_100000239700 [0,1,0,0,0,0|1,1,1]=4 1061 B15R1.93 CC(SCCCO)C(=O)c1ccccc1 62a_100000239700_100011215043 [0,1,0,0,0,0|2,0,1]=4 1062 B15R1.93 CC(SCCCO)C(=O)c1ccccc1 62a_100011215043_100000239700 [0,1,0,0,0,0|2,0,1]=4 1063 B15R1.93 CC(c1ccccc1)N(C)CCCCF 2230a_100000195388_100000729493 [0,1,0,0,0,0|2,1,0]=4 1064 B15R1.93 CC(c1ccccc1)N(C)CCCCF 269982a_100000195388_100000729493 [0,1,0,0,0,0|2,1,0]=4 1065 B15R1.93 CC(c1ccccc1)N(C)CCCCO 2230a_100000195388_100000210776 [0,1,0,0,0,0|3,0,0]=4 1066 B15R1.93 CC(c1ccccc1)N(C)CCCCO 2230a_100000717598_100000230085 [0,1,0,0,0,0|3,0,0]=4 1067 B15R1.93 CC(c1ccccc1)N(C)CCCCO 269982a_100000195388_100000210776 [0,1,0,0,0,0|3,0,0]=4 1068 B15R1.93 CC(c1ccccc1)N(C)CCCCO 269982a_100000717598_100000230085 [0,1,0,0,0,0|3,0,0]=4 1069 B15R1.93 CCCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011218191 [0,1,0,0,0,0|2,0,1]=4 1070 B15R1.93 CCCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011218191 [0,1,0,0,0,0|3,0,0]=4 1071 B15R1.93 CCCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011218191 [0,1,0,0,0,0|3,0,0]=4 1072 B15R1.93 CCCCCC(C)N(C)c1ccccc1 34a_100000210012_200011218191 [0,1,0,0,0,0|3,0,0]=4 1073 B15R1.93 CCCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210326 [0,1,0,0,0,0|3,0,0]=4 1074 B15R1.93 CCCCCN(C)C(C)c1ccccc1 2230a_100000223495_100000230085 [0,1,0,0,0,0|3,0,0]=4 1075 B15R1.93 CCCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210215 [0,1,0,0,0,0|3,0,0]=4 1076 B15R1.93 CCCCCN(C)C(C)c1ccccc1 269982a_100000223495_100000230085 [0,1,0,0,0,0|3,0,0]=4 1077 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 11a_100000102301_100000698975 [0,1,0,0,0,0|2,0,1]=4 1078 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 1626a_100000102301_100000698975 [0,1,0,0,0,0|2,0,1]=4 1079 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 240690a_100000102301_100000698975 [0,1,0,0,0,0|2,0,1]=4 1080 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 527a_100000102301_100000698975 [0,1,0,0,0,0|2,0,1]=4 1081 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 11a_100000102301_100000751047 [0,1,0,0,0,0|2,0,1]=4 1082 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000102301_100000751047 [0,1,0,0,0,0|2,0,1]=4 1083 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000102301_100000751047 [0,1,0,0,0,0|2,0,1]=4 1084 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 527a_100000102301_100000751047 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.93 CCCCNC(=O)[C@H](O)c1ccccc1 240690a_100000102301_100000684486 [0,1,0,0,0,0|2,0,1]=4 1086 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [0,1,0,0,0,0|1,0,1]=3 1087 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [0,1,0,0,0,0|1,0,1]=3 1088 B15R1.93 CCCCOC(C)C(=O)c1ccccc1 7a_100000210227_100000239700 [0,1,0,0,0,0|2,0,1]=4 1089 B15R1.93 CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210210 [0,1,0,0,0,0|2,0,0]=3 1090 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000210211_100000239700 [0,1,0,0,0,0|2,0,1]=4 1091 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210210 [0,1,0,0,0,0|2,0,1]=4 1092 B15R1.93 COCCNC(C)C(=O)c1ccccc1 2230a_100000209980_100000239700 [0,1,0,0,0,0|2,0,1]=4 1093 B15R1.93 COCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011201679 [0,1,0,0,0,0|3,0,0]=4 1094 B15R1.93 CSCCNC(C)C(=O)c1ccccc1 2230a_100020590264_100000239700 [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.93 CSCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000212216 [0,1,0,0,0,0|3,0,0]=4 1096 B15R1.93 C[C@H](C(=O)NCCCF)c1ccccc1 11a_100015189416_100000751047 [0,1,0,0,0,0|1,1,1]=4 1097 B15R1.93 C[C@H](C(=O)NCCCF)c1ccccc1 1626a_100015189416_100000751047 [0,1,0,0,0,0|1,1,1]=4 1098 B15R1.93 C[C@H](C(=O)NCCCF)c1ccccc1 240690a_100015189416_100000751047 [0,1,0,0,0,0|1,1,1]=4 1099 B15R1.93 C[C@H](C(=O)NCCCF)c1ccccc1 527a_100015189416_100000751047 [0,1,0,0,0,0|1,1,1]=4 1100 B15R1.93 C[C@H](C(=O)NCCCO)c1ccccc1 240690a_100000182051_100000751047 [0,1,0,0,0,0|2,0,1]=4 1101 B15R1.93 C[C@H](C(=O)NCCCO)c1ccccc1 527a_100000182051_100000751047 [0,1,0,0,0,0|2,0,1]=4 1102 B15R1.93 C[C@H](OCCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011934791 [0,1,0,0,0,0|1,1,0]=3 1103 B15R1.93 C[C@H](OCCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000230001 [0,1,0,0,0,0|2,0,0]=3 1104 B15R1.93 O=C(NCCCF)C(F)c1ccccc1 11a_100015189416_100000698975 [0,1,0,0,0,0|1,1,1]=4 1105 B15R1.93 O=C(NCCCF)C(F)c1ccccc1 1626a_100015189416_100000698975 [0,1,0,0,0,0|1,1,1]=4 1106 B15R1.93 O=C(NCCCF)C(F)c1ccccc1 240690a_100015189416_100000698975 [0,1,0,0,0,0|1,1,1]=4 1107 B15R1.93 O=C(NCCCF)C(F)c1ccccc1 527a_100015189416_100000698975 [0,1,0,0,0,0|1,1,1]=4 1108 B15R1.93 O=C(NCCCF)[C@H](O)c1ccccc1 240690a_100015189416_100000684486 [0,1,0,0,0,0|1,1,1]=4 1109 B15R1.93 O=C(NCCCO)C(F)c1ccccc1 240690a_100000182051_100000698975 [0,1,0,0,0,0|2,0,1]=4 1110 B15R1.93 O=C(NCCCO)C(F)c1ccccc1 527a_100000182051_100000698975 [0,1,0,0,0,0|2,0,1]=4 1111 B15R1.93 O=C(NCCCO)[C@H](O)c1ccccc1 240690a_100000182051_100000684486 [0,1,0,0,0,0|2,0,1]=4 1112 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000688953 [0,1,0,0,0,0|1,0,1]=3 1113 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000688953 [0,1,0,0,0,0|1,0,1]=3 1114 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000688953 [0,1,0,0,0,0|2,0,1]=4 1115 B15R1.128 C#CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000688953 [0,1,0,0,0,0|2,0,1]=4 1116 B15R1.128 C/C=C/CNC(C)Cc1ccc(cc1)O 34a_100102634573_100102629194 [0,1,0,0,0,0|1,0,2]=4 1117 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)Br 270004a_100015191253_100000691760 [0,1,0,0,0,0|1,0,1]=3 1118 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)C 270004a_100015191253_100000751045 [0,1,0,0,0,0|1,0,1]=3 1119 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)Cl 270004a_100015191253_100000747806 [0,1,0,0,0,0|1,0,1]=3 1120 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)F 270004a_100015191253_100000745281 [0,1,0,0,0,0|1,0,1]=3 1121 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000754431 [0,1,0,0,0,0|1,0,1]=3 1122 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 270004a_100015191253_100011218180 [0,1,0,0,0,0|1,0,1]=3 1123 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000754431 [0,1,0,0,0,0|1,0,1]=3 1124 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1125 B15R1.128 C=CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000748600 [0,1,0,0,0,0|1,0,2]=4 1127 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000748600 [0,1,0,0,0,0|1,0,2]=4 1128 B15R1.128 CC(Cc1ccc(cc1)Br)NCCC#N 270004a_100000720768_100000691760 [0,1,0,0,0,0|1,0,1]=3 1129 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCF 270004a_100015189416_100000691760 [0,1,0,0,0,0|0,1,0]=2 1130 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCO 270004a_100000182051_100000691760 [0,1,0,0,0,0|1,0,0]=2 1131 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100000747806 [0,1,0,0,0,0|1,0,1]=3 1132 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100000747806 [0,1,0,0,0,0|0,1,0]=2 1133 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100000747806 [0,1,0,0,0,0|1,0,0]=2 1134 B15R1.128 CC(Cc1ccc(cc1)F)NCCC#N 270004a_100000720768_100000745281 [0,1,0,0,0,0|1,0,1]=3 1135 B15R1.128 CC(Cc1ccc(cc1)F)NCCCF 270004a_100015189416_100000745281 [0,1,0,0,0,0|0,1,0]=2 1136 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO 270004a_100000182051_100000745281 [0,1,0,0,0,0|1,0,0]=2 1137 B15R1.128 CC(Cc1ccc(cc1)F)OCCC#N 7a_100011351027_100000184422 [0,1,0,0,0,0|2,0,1]=4 1138 B15R1.128 CC(Cc1ccc(cc1)F)OCCCF 34a_100011351027_100011934791 [0,1,0,0,0,0|1,1,0]=3 1139 B15R1.128 CC(Cc1ccc(cc1)F)OCCCF 7a_100011351027_100011934791 [0,1,0,0,0,0|1,1,0]=3 1140 B15R1.128 CC(Cc1ccc(cc1)F)OCCCO 34a_100011351027_100000230001 [0,1,0,0,0,0|2,0,0]=3 1141 B15R1.128 CC(Cc1ccc(cc1)F)OCCCO 7a_100011351027_100011215043 [0,1,0,0,0,0|2,0,0]=3 1142 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 2230a_100102634573_100011215226 [0,1,0,0,0,0|1,0,1]=3 1143 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 270004a_100000720768_100011218180 [0,1,0,0,0,0|1,0,1]=3 1144 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 2230a_100102634573_100011934791 [0,1,0,0,0,0|0,1,0]=2 1145 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 270004a_100015189416_100011218180 [0,1,0,0,0,0|0,1,0]=2 1146 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 34a_100102634573_100011934791 [0,1,0,0,0,0|0,1,0]=2 1147 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 2230a_100102634573_100000230001 [0,1,0,0,0,0|1,0,0]=2 1148 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 270004a_100000182051_100011218180 [0,1,0,0,0,0|1,0,0]=2 1149 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 34a_100102634573_100000230001 [0,1,0,0,0,0|1,0,0]=2 1150 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000070051 [0,1,0,0,0,0|1,0,2]=4 1151 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000070051 [0,1,0,0,0,0|1,0,2]=4 1152 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_200011218191 [0,1,0,0,0,0|3,0,0]=4 1153 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Br 34a_100000210018_200011218191 [0,1,0,0,0,0|3,0,0]=4 1154 B15R1.128 CCCCCC(C)Nc1ccc(cc1)C 34a_100000124888_200011218191 [0,1,0,0,0,0|3,0,0]=4 1155 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_200011218191 [0,1,0,0,0,0|3,0,0]=4 1156 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_200011218191 [0,1,0,0,0,0|3,0,0]=4 1157 B15R1.128 CCCCCC(C)Nc1ccc(cc1)F 34a_100000185862_200011218191 [0,1,0,0,0,0|3,0,0]=4 1158 B15R1.128 CCCCCC(C)Nc1ccc(cc1)I 34a_100000185761_200011218191 [0,1,0,0,0,0|3,0,0]=4 1159 B15R1.128 CCCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011218191 [0,1,0,0,0,0|3,0,0]=4 1160 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Br 34a_100000185759_200011218191 [0,1,0,0,0,0|3,0,0]=4 1161 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Br 7a_100000185759_200011218191 [0,1,0,0,0,0|3,0,0]=4 1162 B15R1.128 CCCCCC(C)Oc1ccc(cc1)C 34a_100000210336_200011218191 [0,1,0,0,0,0|3,0,0]=4 1163 B15R1.128 CCCCCC(C)Oc1ccc(cc1)C 7a_100000210336_200011218191 [0,1,0,0,0,0|3,0,0]=4 1164 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_200011218191 [0,1,0,0,0,0|3,0,0]=4 1165 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_200011218191 [0,1,0,0,0,0|3,0,0]=4 1166 B15R1.128 CCCCCC(C)Oc1ccc(cc1)F 34a_100000210339_200011218191 [0,1,0,0,0,0|3,0,0]=4 1167 B15R1.128 CCCCCC(C)Oc1ccc(cc1)I 34a_100000212066_200011218191 [0,1,0,0,0,0|3,0,0]=4 1168 B15R1.128 CCCCCC(C)Oc1ccc(cc1)I 7a_100000212066_200011218191 [0,1,0,0,0,0|3,0,0]=4 1169 B15R1.128 CCCCCC(C)Oc1ccc(cc1)N 34a_100000185829_200011218191 [0,1,0,0,0,0|3,0,0]=4 1170 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Br 62a_100000752885_200011218191 [0,1,0,0,0,0|3,0,0]=4 1171 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Br 62a_200011218191_100000752885 [0,1,0,0,0,0|3,0,0]=4 1172 B15R1.128 CCCCCC(C)Sc1ccc(cc1)C 62a_100000186775_200011218191 [0,1,0,0,0,0|3,0,0]=4 1173 B15R1.128 CCCCCC(C)Sc1ccc(cc1)C 62a_200011218191_100000186775 [0,1,0,0,0,0|3,0,0]=4 1174 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_200011218191 [0,1,0,0,0,0|3,0,0]=4 1175 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Cl 62a_200011218191_100000755918 [0,1,0,0,0,0|3,0,0]=4 1176 B15R1.128 CCCCCC(C)Sc1ccc(cc1)F 62a_100000211213_200011218191 [0,1,0,0,0,0|3,0,0]=4 1177 B15R1.128 CCCCCC(C)Sc1ccc(cc1)F 62a_200011218191_100000211213 [0,1,0,0,0,0|3,0,0]=4 1178 B15R1.128 CCCCCC(C)Sc1ccc(cc1)N 62a_100000185761_200011218191 [0,1,0,0,0,0|3,0,0]=4 1179 B15R1.128 CCCCCC(C)Sc1ccc(cc1)N 62a_200011218191_100000185761 [0,1,0,0,0,0|3,0,0]=4 1180 B15R1.128 CCCCCC(C)Sc1ccc(cc1)O 62a_200011218191_100000185759 [0,1,0,0,0,0|3,0,0]=4 1181 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210326 [0,1,0,0,0,0|3,0,0]=4 1182 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 2230a_100000223495_100011217064 [0,1,0,0,0,0|3,0,0]=4 1183 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210215 [0,1,0,0,0,0|3,0,0]=4 1184 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 269982a_100000223495_100011217064 [0,1,0,0,0,0|3,0,0]=4 1185 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 26a_100000223495_100000185759 [0,1,0,0,0,0|3,0,0]=4 1186 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 270004a_100000223495_100000186029 [0,1,0,0,0,0|3,0,0]=4 1187 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 2230a_100000223495_100000210814 [0,1,0,0,0,0|3,0,0]=4 1188 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210326 [0,1,0,0,0,0|3,0,0]=4 1189 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 269982a_100000223495_100000210814 [0,1,0,0,0,0|3,0,0]=4 1190 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210215 [0,1,0,0,0,0|3,0,0]=4 1191 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 26a_100000223495_200020625495 [0,1,0,0,0,0|3,0,0]=4 1192 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 270004a_100000223495_100000211033 [0,1,0,0,0,0|3,0,0]=4 1193 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000718602 [0,1,0,0,0,0|3,0,0]=4 1194 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210326 [0,1,0,0,0,0|3,0,0]=4 1195 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000189089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1196 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000223495_100000694040 [0,1,0,0,0,0|3,0,0]=4 1197 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210215 [0,1,0,0,0,0|3,0,0]=4 1198 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000189089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1199 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000223495_100000187161 [0,1,0,0,0,0|3,0,0]=4 1200 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 270004a_100000223495_100000189385 [0,1,0,0,0,0|3,0,0]=4 1201 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000718602 [0,1,0,0,0,0|3,0,0]=4 1202 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 34a_100000189089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1203 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000180876_200000210301 [0,1,0,0,0,0|3,0,0]=4 1204 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210326 [0,1,0,0,0,0|3,0,0]=4 1205 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000223495_100000198546 [0,1,0,0,0,0|3,0,0]=4 1206 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000180876_200000210301 [0,1,0,0,0,0|3,0,0]=4 1207 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210215 [0,1,0,0,0,0|3,0,0]=4 1208 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000223495_100000198546 [0,1,0,0,0,0|3,0,0]=4 1209 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 270004a_100000223495_100000210084 [0,1,0,0,0,0|3,0,0]=4 1210 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 34a_100000180876_200000210301 [0,1,0,0,0,0|3,0,0]=4 1211 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000718602 [0,1,0,0,0,0|3,0,0]=4 1212 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I 2230a_100000223495_100000189116 [0,1,0,0,0,0|3,0,0]=4 1213 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I 269982a_100000223495_100000189116 [0,1,0,0,0,0|3,0,0]=4 1214 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210326 [0,1,0,0,0,0|3,0,0]=4 1215 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210215 [0,1,0,0,0,0|3,0,0]=4 1216 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000189089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1217 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000189089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1218 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 34a_100000189089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1219 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 2230a_100000180876_200025704644 [0,1,0,0,0,0|3,0,0]=4 1220 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 269982a_100000180876_200025704644 [0,1,0,0,0,0|3,0,0]=4 1221 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 34a_100000180876_200025704644 [0,1,0,0,0,0|3,0,0]=4 1222 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 11a_100000102301_100000198978 [0,1,0,0,0,0|2,0,1]=4 1223 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 240690a_100000102301_100000198978 [0,1,0,0,0,0|2,0,1]=4 1224 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 527a_100000102301_100000198978 [0,1,0,0,0,0|2,0,1]=4 1225 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 11a_100000102301_100000212244 [0,1,0,0,0,0|2,0,1]=4 1226 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 240690a_100000102301_100000212244 [0,1,0,0,0,0|2,0,1]=4 1227 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 527a_100000102301_100000212244 [0,1,0,0,0,0|2,0,1]=4 1228 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 11a_100000102301_100000211027 [0,1,0,0,0,0|2,0,1]=4 1229 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000102301_100000211027 [0,1,0,0,0,0|2,0,1]=4 1230 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 527a_100000102301_100000211027 [0,1,0,0,0,0|2,0,1]=4 1231 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 11a_100000102301_100000210951 [0,1,0,0,0,0|2,0,1]=4 1232 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 1626a_100000102301_100000210951 [0,1,0,0,0,0|2,0,1]=4 1233 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 240690a_100000102301_100000210951 [0,1,0,0,0,0|2,0,1]=4 1234 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 527a_100000102301_100000210951 [0,1,0,0,0,0|2,0,1]=4 1235 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 11a_100000102301_100000688869 [0,1,0,0,0,0|2,0,1]=4 1236 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 1626a_100000102301_100000688869 [0,1,0,0,0,0|2,0,1]=4 1237 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 240690a_100000102301_100000688869 [0,1,0,0,0,0|2,0,1]=4 1238 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 527a_100000102301_100000688869 [0,1,0,0,0,0|2,0,1]=4 1239 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 1626a_100000102301_100000198540 [0,1,0,0,0,0|2,0,1]=4 1240 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 240690a_100000102301_100000198540 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 527a_100000102301_100000198540 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000102301_100000691760 [0,1,0,0,0,0|1,0,0]=2 1243 B15R1.128 CCCCNC(C)Cc1ccc(cc1)C 270004a_100000102301_100000751045 [0,1,0,0,0,0|1,0,0]=2 1244 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000102301_100000747806 [0,1,0,0,0,0|1,0,0]=2 1245 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F 270004a_100000102301_100000745281 [0,1,0,0,0,0|1,0,0]=2 1246 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210211 [0,1,0,0,0,0|1,0,0]=2 1247 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 270004a_100000102301_100011218180 [0,1,0,0,0,0|1,0,0]=2 1248 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210210 [0,1,0,0,0,0|1,0,0]=2 1249 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210210 [0,1,0,0,0,0|2,0,0]=3 1250 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210211 [0,1,0,0,0,0|2,0,0]=3 1251 B15R1.128 CN(CCCCF)Cc1ccc(cc1)Br 2230a_100000180866_100000729493 [0,1,0,0,0,0|2,1,0]=4 1252 B15R1.128 CN(CCCCF)Cc1ccc(cc1)Br 269982a_100000180866_100000729493 [0,1,0,0,0,0|2,1,0]=4 1253 B15R1.128 CN(CCCCF)Cc1ccc(cc1)Cl 2230a_100000184517_100000729493 [0,1,0,0,0,0|2,1,0]=4 1254 B15R1.128 CN(CCCCF)Cc1ccc(cc1)Cl 269982a_100000184517_100000729493 [0,1,0,0,0,0|2,1,0]=4 1255 B15R1.128 CN(CCCCF)Cc1ccc(cc1)Cl 34a_100000184517_100000729493 [0,1,0,0,0,0|2,1,0]=4 1256 B15R1.128 CN(CCCCF)Cc1ccc(cc1)F 2230a_100000184576_100000729493 [0,1,0,0,0,0|2,1,0]=4 1257 B15R1.128 CN(CCCCF)Cc1ccc(cc1)F 269982a_100000184576_100000729493 [0,1,0,0,0,0|2,1,0]=4 1258 B15R1.128 CN(CCCCF)Cc1ccc(cc1)F 34a_100000184576_100000729493 [0,1,0,0,0,0|2,1,0]=4 1259 B15R1.128 CN(CCCCF)Cc1ccc(cc1)O 2230a_100000207500_100000729493 [0,1,0,0,0,0|2,1,0]=4 1260 B15R1.128 CN(CCCCF)Cc1ccc(cc1)O 269982a_100000207500_100000729493 [0,1,0,0,0,0|2,1,0]=4 1261 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 2230a_100000180866_100000210776 [0,1,0,0,0,0|3,0,0]=4 1262 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 2230a_100000717598_100011217064 [0,1,0,0,0,0|3,0,0]=4 1263 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 269982a_100000180866_100000210776 [0,1,0,0,0,0|3,0,0]=4 1264 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 269982a_100000717598_100011217064 [0,1,0,0,0,0|3,0,0]=4 1265 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 26a_100000717598_100000185759 [0,1,0,0,0,0|3,0,0]=4 1266 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Br 270004a_100000717598_100000186029 [0,1,0,0,0,0|3,0,0]=4 1267 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000210776 [0,1,0,0,0,0|3,0,0]=4 1268 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 2230a_100000717598_100000694040 [0,1,0,0,0,0|3,0,0]=4 1269 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000210776 [0,1,0,0,0,0|3,0,0]=4 1270 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 269982a_100000717598_100000187161 [0,1,0,0,0,0|3,0,0]=4 1271 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 270004a_100000717598_100000189385 [0,1,0,0,0,0|3,0,0]=4 1272 B15R1.128 CN(CCCCO)Cc1ccc(cc1)Cl 34a_100000184517_100011216708 [0,1,0,0,0,0|3,0,0]=4 1273 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 2230a_100000184576_100000210776 [0,1,0,0,0,0|3,0,0]=4 1274 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 2230a_100000717598_100000198546 [0,1,0,0,0,0|3,0,0]=4 1275 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 269982a_100000184576_100000210776 [0,1,0,0,0,0|3,0,0]=4 1276 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 269982a_100000717598_100000198546 [0,1,0,0,0,0|3,0,0]=4 1277 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 270004a_100000717598_100000210084 [0,1,0,0,0,0|3,0,0]=4 1278 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F 34a_100000184576_100011216708 [0,1,0,0,0,0|3,0,0]=4 1279 B15R1.128 CN(CCCCO)Cc1ccc(cc1)I 2230a_100000717598_100000189116 [0,1,0,0,0,0|3,0,0]=4 1280 B15R1.128 CN(CCCCO)Cc1ccc(cc1)I 269982a_100000717598_100000189116 [0,1,0,0,0,0|3,0,0]=4 1281 B15R1.128 CN(CCCCO)Cc1ccc(cc1)O 2230a_100000207500_100000210776 [0,1,0,0,0,0|3,0,0]=4 1282 B15R1.128 CN(CCCCO)Cc1ccc(cc1)O 269982a_100000207500_100000210776 [0,1,0,0,0,0|3,0,0]=4 1283 B15R1.128 COCCNC(C)Cc1ccc(cc1)Br 270004a_100000209980_100000691760 [0,1,0,0,0,0|2,0,0]=3 1284 B15R1.128 COCCNC(C)Cc1ccc(cc1)C 270004a_100000209980_100000751045 [0,1,0,0,0,0|2,0,0]=3 1285 B15R1.128 COCCNC(C)Cc1ccc(cc1)Cl 270004a_100000209980_100000747806 [0,1,0,0,0,0|2,0,0]=3 1286 B15R1.128 COCCNC(C)Cc1ccc(cc1)F 270004a_100000209980_100000745281 [0,1,0,0,0,0|2,0,0]=3 1287 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011201679 [0,1,0,0,0,0|2,0,0]=3 1288 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 270004a_100000209980_100011218180 [0,1,0,0,0,0|2,0,0]=3 1289 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011201679 [0,1,0,0,0,0|2,0,0]=3 1290 B15R1.128 COCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100011201679 [0,1,0,0,0,0|3,0,0]=4 1291 B15R1.128 COCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000233755 [0,1,0,0,0,0|3,0,0]=4 1292 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Br 270004a_100020590264_100000691760 [0,1,0,0,0,0|2,0,0]=3 1293 B15R1.128 CSCCNC(C)Cc1ccc(cc1)C 270004a_100020590264_100000751045 [0,1,0,0,0,0|2,0,0]=3 1294 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Cl 270004a_100020590264_100000747806 [0,1,0,0,0,0|2,0,0]=3 1295 B15R1.128 CSCCNC(C)Cc1ccc(cc1)F 270004a_100020590264_100000745281 [0,1,0,0,0,0|2,0,0]=3 1296 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000751147 [0,1,0,0,0,0|2,0,0]=3 1297 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 270004a_100020590264_100011218180 [0,1,0,0,0,0|2,0,0]=3 1298 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000212216 [0,1,0,0,0,0|2,0,0]=3 1299 B15R1.128 CSCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000212216 [0,1,0,0,0,0|3,0,0]=4 1300 B15R1.128 CSCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000212216 [0,1,0,0,0,0|3,0,0]=4 1301 B15R1.128 Cc1ccc(cc1)CC(=O)NCCCF 11a_100015189416_100000212244 [0,1,0,0,0,0|1,1,1]=4 1302 B15R1.128 Cc1ccc(cc1)CC(=O)NCCCF 240690a_100015189416_100000212244 [0,1,0,0,0,0|1,1,1]=4 1303 B15R1.128 Cc1ccc(cc1)CC(=O)NCCCF 527a_100015189416_100000212244 [0,1,0,0,0,0|1,1,1]=4 1304 B15R1.128 Cc1ccc(cc1)CC(=O)NCCCO 240690a_100000182051_100000212244 [0,1,0,0,0,0|2,0,1]=4 1305 B15R1.128 Cc1ccc(cc1)CC(=O)NCCCO 527a_100000182051_100000212244 [0,1,0,0,0,0|2,0,1]=4 1306 B15R1.128 Cc1ccc(cc1)CC(C)NCCC#N 270004a_100000720768_100000751045 [0,1,0,0,0,0|1,0,1]=3 1307 B15R1.128 Cc1ccc(cc1)CC(C)NCCCF 270004a_100015189416_100000751045 [0,1,0,0,0,0|0,1,0]=2 1308 B15R1.128 Cc1ccc(cc1)CC(C)NCCCO 270004a_100000182051_100000751045 [0,1,0,0,0,0|1,0,0]=2 1309 B15R1.128 Cc1ccc(cc1)CN(C)CCCCF 2230a_100000744650_100000729493 [0,1,0,0,0,0|2,1,0]=4 1310 B15R1.128 Cc1ccc(cc1)CN(C)CCCCF 269982a_100000744650_100000729493 [0,1,0,0,0,0|2,1,0]=4 1311 B15R1.128 Cc1ccc(cc1)CN(C)CCCCF 34a_100000744650_100000729493 [0,1,0,0,0,0|2,1,0]=4 1312 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 2230a_100000717598_100000210814 [0,1,0,0,0,0|3,0,0]=4 1313 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 2230a_100000744650_100000210776 [0,1,0,0,0,0|3,0,0]=4 1314 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 269982a_100000717598_100000210814 [0,1,0,0,0,0|3,0,0]=4 1315 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 269982a_100000744650_100000210776 [0,1,0,0,0,0|3,0,0]=4 1316 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 26a_100000717598_200020625495 [0,1,0,0,0,0|3,0,0]=4 1317 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 270004a_100000717598_100000211033 [0,1,0,0,0,0|3,0,0]=4 1318 B15R1.128 Cc1ccc(cc1)CN(C)CCCCO 34a_100000744650_100011216708 [0,1,0,0,0,0|3,0,0]=4 1319 B15R1.128 O=C(Cc1ccc(cc1)Br)NCCCF 11a_100015189416_100000198978 [0,1,0,0,0,0|1,1,1]=4 1320 B15R1.128 O=C(Cc1ccc(cc1)Br)NCCCF 240690a_100015189416_100000198978 [0,1,0,0,0,0|1,1,1]=4 1321 B15R1.128 O=C(Cc1ccc(cc1)Br)NCCCF 527a_100015189416_100000198978 [0,1,0,0,0,0|1,1,1]=4 1322 B15R1.128 O=C(Cc1ccc(cc1)Br)NCCCO 240690a_100000182051_100000198978 [0,1,0,0,0,0|2,0,1]=4 1323 B15R1.128 O=C(Cc1ccc(cc1)Br)NCCCO 527a_100000182051_100000198978 [0,1,0,0,0,0|2,0,1]=4 1324 B15R1.128 O=C(Cc1ccc(cc1)Cl)NCCCF 11a_100015189416_100000211027 [0,1,0,0,0,0|1,1,1]=4 1325 B15R1.128 O=C(Cc1ccc(cc1)Cl)NCCCF 240690a_100015189416_100000211027 [0,1,0,0,0,0|1,1,1]=4 1326 B15R1.128 O=C(Cc1ccc(cc1)Cl)NCCCF 527a_100015189416_100000211027 [0,1,0,0,0,0|1,1,1]=4 1327 B15R1.128 O=C(Cc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000211027 [0,1,0,0,0,0|2,0,1]=4 1328 B15R1.128 O=C(Cc1ccc(cc1)Cl)NCCCO 527a_100000182051_100000211027 [0,1,0,0,0,0|2,0,1]=4 1329 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCF 11a_100015189416_100000210951 [0,1,0,0,0,0|1,1,1]=4 1330 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCF 1626a_100015189416_100000210951 [0,1,0,0,0,0|1,1,1]=4 1331 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCF 240690a_100015189416_100000210951 [0,1,0,0,0,0|1,1,1]=4 1332 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCF 527a_100015189416_100000210951 [0,1,0,0,0,0|1,1,1]=4 1333 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCO 240690a_100000182051_100000210951 [0,1,0,0,0,0|2,0,1]=4 1334 B15R1.128 O=C(Cc1ccc(cc1)F)NCCCO 527a_100000182051_100000210951 [0,1,0,0,0,0|2,0,1]=4 1335 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCF 11a_100015189416_100000688869 [0,1,0,0,0,0|1,1,1]=4 1336 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCF 1626a_100015189416_100000688869 [0,1,0,0,0,0|1,1,1]=4 1337 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCF 240690a_100015189416_100000688869 [0,1,0,0,0,0|1,1,1]=4 1338 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCF 527a_100015189416_100000688869 [0,1,0,0,0,0|1,1,1]=4 1339 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCO 240690a_100000182051_100000688869 [0,1,0,0,0,0|2,0,1]=4 1340 B15R1.128 O=C(Cc1ccc(cc1)I)NCCCO 527a_100000182051_100000688869 [0,1,0,0,0,0|2,0,1]=4 1341 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 1626a_100015189416_100000198540 [0,1,0,0,0,0|1,1,1]=4 1342 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 240690a_100015189416_100000198540 [0,1,0,0,0,0|1,1,1]=4 1343 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 527a_100015189416_100000198540 [0,1,0,0,0,0|1,1,1]=4 1344 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100000198540 [0,1,0,0,0,0|2,0,1]=4 1345 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCO 527a_100000182051_100000198540 [0,1,0,0,0,0|2,0,1]=4 1346 B15R1.129 C=CCCNC(C)Cc1cc(ccn1)C 270004a_100015191253_200015184229 [0,1,0,0,0,0|2,0,1]=4 1347 B15R1.129 C=CCCNC(C)Cc1cccc(c1)Br 270004a_100015191253_100000689217 [0,1,0,0,0,0|1,0,1]=3 1348 B15R1.129 C=CCCNC(C)Cc1cccc(c1)Cl 270004a_100015191253_100000727212 [0,1,0,0,0,0|1,0,1]=3 1349 B15R1.129 C=CCCNC(C)Cc1cccc(c1)F 270004a_100015191253_100000687711 [0,1,0,0,0,0|1,0,1]=3 1350 B15R1.129 CC(Cc1cccc(c1)Br)NCCC#N 270004a_100000720768_100000689217 [0,1,0,0,0,0|1,0,1]=3 1351 B15R1.129 CC(Cc1cccc(c1)Br)NCCCF 270004a_100015189416_100000689217 [0,1,0,0,0,0|0,1,0]=2 1352 B15R1.129 CC(Cc1cccc(c1)Br)NCCCO 270004a_100000182051_100000689217 [0,1,0,0,0,0|1,0,0]=2 1353 B15R1.129 CC(Cc1cccc(c1)Cl)NCCC#N 270004a_100000720768_100000727212 [0,1,0,0,0,0|1,0,1]=3 1354 B15R1.129 CC(Cc1cccc(c1)Cl)NCCCF 270004a_100015189416_100000727212 [0,1,0,0,0,0|0,1,0]=2 1355 B15R1.129 CC(Cc1cccc(c1)Cl)NCCCO 270004a_100000182051_100000727212 [0,1,0,0,0,0|1,0,0]=2 1356 B15R1.129 CC(Cc1cccc(c1)F)NCCC#N 270004a_100000720768_100000687711 [0,1,0,0,0,0|1,0,1]=3 1357 B15R1.129 CC(Cc1cccc(c1)F)NCCCF 270004a_100015189416_100000687711 [0,1,0,0,0,0|0,1,0]=2 1358 B15R1.129 CC(Cc1cccc(c1)F)NCCCO 270004a_100000182051_100000687711 [0,1,0,0,0,0|1,0,0]=2 1359 B15R1.129 CCCCCC(C)Nc1cccc(c1)Br 34a_100000210019_200011218191 [0,1,0,0,0,0|3,0,0]=4 1360 B15R1.129 CCCCCC(C)Nc1cccc(c1)C 2230a_100000188690_200011218191 [0,1,0,0,0,0|3,0,0]=4 1361 B15R1.129 CCCCCC(C)Nc1cccc(c1)C 34a_100000188690_200011218191 [0,1,0,0,0,0|3,0,0]=4 1362 B15R1.129 CCCCCC(C)Nc1cccc(c1)Cl 34a_100000185859_200011218191 [0,1,0,0,0,0|3,0,0]=4 1363 B15R1.129 CCCCCC(C)Nc1cccc(c1)F 34a_100000210047_200011218191 [0,1,0,0,0,0|3,0,0]=4 1364 B15R1.129 CCCCCC(C)Nc1cccc(c1)I 34a_100000211102_200011218191 [0,1,0,0,0,0|3,0,0]=4 1365 B15R1.129 CCCCCC(C)Nc1cccc(c1)O 34a_100000210217_200011218191 [0,1,0,0,0,0|3,0,0]=4 1366 B15R1.129 CCCCCC(C)Oc1cccc(c1)Br 34a_100000210342_200011218191 [0,1,0,0,0,0|3,0,0]=4 1367 B15R1.129 CCCCCC(C)Oc1cccc(c1)Br 7a_100000210342_200011218191 [0,1,0,0,0,0|3,0,0]=4 1368 B15R1.129 CCCCCC(C)Oc1cccc(c1)C 34a_100000210337_200011218191 [0,1,0,0,0,0|3,0,0]=4 1369 B15R1.129 CCCCCC(C)Oc1cccc(c1)C 7a_100000210337_200011218191 [0,1,0,0,0,0|3,0,0]=4 1370 B15R1.129 CCCCCC(C)Oc1cccc(c1)Cl 34a_100000210295_200011218191 [0,1,0,0,0,0|3,0,0]=4 1371 B15R1.129 CCCCCC(C)Oc1cccc(c1)Cl 7a_100000210295_200011218191 [0,1,0,0,0,0|3,0,0]=4 1372 B15R1.129 CCCCCC(C)Oc1cccc(c1)F 34a_100000210426_200011218191 [0,1,0,0,0,0|3,0,0]=4 1373 B15R1.129 CCCCCC(C)Oc1cccc(c1)F 7a_100000210426_200011218191 [0,1,0,0,0,0|3,0,0]=4 1374 B15R1.129 CCCCCC(C)Oc1cccc(c1)I 34a_100000211634_200011218191 [0,1,0,0,0,0|3,0,0]=4 1375 B15R1.129 CCCCCC(C)Oc1cccc(c1)I 7a_100000211634_200011218191 [0,1,0,0,0,0|3,0,0]=4 1376 B15R1.129 CCCCCC(C)Oc1cccc(c1)N 34a_100000210217_200011218191 [0,1,0,0,0,0|3,0,0]=4 1377 B15R1.129 CCCCCC(C)Sc1cccc(c1)Br 62a_100000691529_200011218191 [0,1,0,0,0,0|3,0,0]=4 1378 B15R1.129 CCCCCC(C)Sc1cccc(c1)Br 62a_200011218191_100000691529 [0,1,0,0,0,0|3,0,0]=4 1379 B15R1.129 CCCCCC(C)Sc1cccc(c1)C 62a_100011215228_200011218191 [0,1,0,0,0,0|3,0,0]=4 1380 B15R1.129 CCCCCC(C)Sc1cccc(c1)C 62a_200011218191_100011215228 [0,1,0,0,0,0|3,0,0]=4 1381 B15R1.129 CCCCCC(C)Sc1cccc(c1)Cl 62a_100000699651_200011218191 [0,1,0,0,0,0|3,0,0]=4 1382 B15R1.129 CCCCCC(C)Sc1cccc(c1)Cl 62a_200011218191_100000699651 [0,1,0,0,0,0|3,0,0]=4 1383 B15R1.129 CCCCCC(C)Sc1cccc(c1)F 62a_100000685547_200011218191 [0,1,0,0,0,0|3,0,0]=4 1384 B15R1.129 CCCCCC(C)Sc1cccc(c1)F 62a_200011218191_100000685547 [0,1,0,0,0,0|3,0,0]=4 1385 B15R1.129 CCCCCC(C)Sc1cccc(c1)N 62a_100000210019_200011218191 [0,1,0,0,0,0|3,0,0]=4 1386 B15R1.129 CCCCCC(C)Sc1cccc(c1)N 62a_200011218191_100000210019 [0,1,0,0,0,0|3,0,0]=4 1387 B15R1.129 CCCCCC(C)Sc1cccc(c1)O 62a_200011218191_100000211634 [0,1,0,0,0,0|3,0,0]=4 1388 B15R1.129 CCCCCC(C)Sc1cccc(c1)[S] 62a_114929384022_200011218191 [0,1,0,0,0,0|3,0,0]=4 1389 B15R1.129 CCCCCC(C)Sc1cccc(c1)[S] 62a_200011218191_114929384022 [0,1,0,0,0,0|3,0,0]=4 1390 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210326 [0,1,0,0,0,0|3,0,0]=4 1391 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 2230a_100000223495_100000698116 [0,1,0,0,0,0|3,0,0]=4 1392 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210215 [0,1,0,0,0,0|3,0,0]=4 1393 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 269982a_100000223495_100000211773 [0,1,0,0,0,0|3,0,0]=4 1394 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 26a_100000223495_100000210342 [0,1,0,0,0,0|3,0,0]=4 1395 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 270004a_100000223495_100000210085 [0,1,0,0,0,0|3,0,0]=4 1396 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 2230a_100000223495_100000211840 [0,1,0,0,0,0|3,0,0]=4 1397 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210326 [0,1,0,0,0,0|3,0,0]=4 1398 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 269982a_100000223495_100000211840 [0,1,0,0,0,0|3,0,0]=4 1399 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210215 [0,1,0,0,0,0|3,0,0]=4 1400 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 270004a_100000223495_100000211157 [0,1,0,0,0,0|3,0,0]=4 1401 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 34a_102495364743_100000718602 [0,1,0,0,0,0|3,0,0]=4 1402 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 2230a_100000223495_100000181238 [0,1,0,0,0,0|3,0,0]=4 1403 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210326 [0,1,0,0,0,0|3,0,0]=4 1404 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 269982a_100000223495_100000181238 [0,1,0,0,0,0|3,0,0]=4 1405 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210215 [0,1,0,0,0,0|3,0,0]=4 1406 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 270004a_100000223495_100000210801 [0,1,0,0,0,0|3,0,0]=4 1407 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210326 [0,1,0,0,0,0|3,0,0]=4 1408 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 2230a_100000223495_100000230114 [0,1,0,0,0,0|3,0,0]=4 1409 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210215 [0,1,0,0,0,0|3,0,0]=4 1410 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 269982a_100000223495_100000230114 [0,1,0,0,0,0|3,0,0]=4 1411 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 270004a_100000223495_100000210812 [0,1,0,0,0,0|3,0,0]=4 1412 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 34a_100000184398_100000718602 [0,1,0,0,0,0|3,0,0]=4 1413 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 2230a_100000223495_100011218688 [0,1,0,0,0,0|3,0,0]=4 1414 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 269982a_100000223495_100011218688 [0,1,0,0,0,0|3,0,0]=4 1415 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 270004a_100000223495_100000014684 [0,1,0,0,0,0|3,0,0]=4 1416 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210326 [0,1,0,0,0,0|3,0,0]=4 1417 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 2230a_100000223495_100011660834 [0,1,0,0,0,0|3,0,0]=4 1418 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210215 [0,1,0,0,0,0|3,0,0]=4 1419 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 269982a_100000223495_100000084143 [0,1,0,0,0,0|3,0,0]=4 1420 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 270004a_100000223495_100000188321 [0,1,0,0,0,0|3,0,0]=4 1421 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 11a_100000102301_100000747190 [0,1,0,0,0,0|2,0,1]=4 1422 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 240690a_100000102301_100000747190 [0,1,0,0,0,0|2,0,1]=4 1423 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 527a_100000102301_100000747190 [0,1,0,0,0,0|2,0,1]=4 1424 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 11a_100000102301_100011206899 [0,1,0,0,0,0|2,0,1]=4 1425 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 1626a_100000102301_100011206899 [0,1,0,0,0,0|2,0,1]=4 1426 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 240690a_100000102301_100011206899 [0,1,0,0,0,0|2,0,1]=4 1427 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 527a_100000102301_100011206899 [0,1,0,0,0,0|2,0,1]=4 1428 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 11a_100000102301_100000749307 [0,1,0,0,0,0|2,0,1]=4 1429 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 1626a_100000102301_100000749307 [0,1,0,0,0,0|2,0,1]=4 1430 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 240690a_100000102301_100000749307 [0,1,0,0,0,0|2,0,1]=4 1431 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 527a_100000102301_100000749307 [0,1,0,0,0,0|2,0,1]=4 1432 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 11a_100000102301_100000211661 [0,1,0,0,0,0|2,0,1]=4 1433 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 1626a_100000102301_100000211661 [0,1,0,0,0,0|2,0,1]=4 1434 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 240690a_100000102301_100000211661 [0,1,0,0,0,0|2,0,1]=4 1435 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 527a_100000102301_100000211661 [0,1,0,0,0,0|2,0,1]=4 1436 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 11a_100000102301_100000238430 [0,1,0,0,0,0|2,0,1]=4 1437 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 1626a_100000102301_100000238430 [0,1,0,0,0,0|2,0,1]=4 1438 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 240690a_100000102301_100000238430 [0,1,0,0,0,0|2,0,1]=4 1439 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 527a_100000102301_100000238430 [0,1,0,0,0,0|2,0,1]=4 1440 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O 240690a_100000102301_100000745134 [0,1,0,0,0,0|2,0,1]=4 1441 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O 527a_100000102301_100000745134 [0,1,0,0,0,0|2,0,1]=4 1442 B15R1.129 CCCCNC(C)Cc1cc(ccn1)C 270004a_100000102301_200015184229 [0,1,0,0,0,0|2,0,0]=3 1443 B15R1.129 CCCCNC(C)Cc1cccc(c1)Br 270004a_100000102301_100000689217 [0,1,0,0,0,0|1,0,0]=2 1444 B15R1.129 CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000102301_100000727212 [0,1,0,0,0,0|1,0,0]=2 1445 B15R1.129 CCCCNC(C)Cc1cccc(c1)F 270004a_100000102301_100000687711 [0,1,0,0,0,0|1,0,0]=2 1446 B15R1.129 CCCCOC(C)Cc1cccc(n1)C 34a_200015421231_100000210210 [0,1,0,0,0,0|3,0,0]=4 1447 B15R1.129 CN(CCCCF)Cc1cccc(c1)Br 2230a_100000187585_100000729493 [0,1,0,0,0,0|2,1,0]=4 1448 B15R1.129 CN(CCCCF)Cc1cccc(c1)Br 269982a_100000187585_100000729493 [0,1,0,0,0,0|2,1,0]=4 1449 B15R1.129 CN(CCCCF)Cc1cccc(c1)Cl 2230a_100020629429_100000729493 [0,1,0,0,0,0|2,1,0]=4 1450 B15R1.129 CN(CCCCF)Cc1cccc(c1)Cl 269982a_100020629429_100000729493 [0,1,0,0,0,0|2,1,0]=4 1451 B15R1.129 CN(CCCCF)Cc1cccc(c1)F 2230a_100000184398_100000729493 [0,1,0,0,0,0|2,1,0]=4 1452 B15R1.129 CN(CCCCF)Cc1cccc(c1)F 269982a_100000184398_100000729493 [0,1,0,0,0,0|2,1,0]=4 1453 B15R1.129 CN(CCCCF)Cc1cccc(c1)F 34a_100000184398_100000729493 [0,1,0,0,0,0|2,1,0]=4 1454 B15R1.129 CN(CCCCF)Cc1cccc(c1)O 2230a_100000207540_100000729493 [0,1,0,0,0,0|2,1,0]=4 1455 B15R1.129 CN(CCCCF)Cc1cccc(c1)O 269982a_100000207540_100000729493 [0,1,0,0,0,0|2,1,0]=4 1456 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 2230a_100000187585_100000210776 [0,1,0,0,0,0|3,0,0]=4 1457 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 2230a_100000717598_100000698116 [0,1,0,0,0,0|3,0,0]=4 1458 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 269982a_100000187585_100000210776 [0,1,0,0,0,0|3,0,0]=4 1459 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 269982a_100000717598_100000211773 [0,1,0,0,0,0|3,0,0]=4 1460 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 26a_100000717598_100000210342 [0,1,0,0,0,0|3,0,0]=4 1461 B15R1.129 CN(CCCCO)Cc1cccc(c1)Br 270004a_100000717598_100000210085 [0,1,0,0,0,0|3,0,0]=4 1462 B15R1.129 CN(CCCCO)Cc1cccc(c1)Cl 2230a_100000717598_100000181238 [0,1,0,0,0,0|3,0,0]=4 1463 B15R1.129 CN(CCCCO)Cc1cccc(c1)Cl 2230a_100020629429_100000210776 [0,1,0,0,0,0|3,0,0]=4 1464 B15R1.129 CN(CCCCO)Cc1cccc(c1)Cl 269982a_100000717598_100000181238 [0,1,0,0,0,0|3,0,0]=4 1465 B15R1.129 CN(CCCCO)Cc1cccc(c1)Cl 269982a_100020629429_100000210776 [0,1,0,0,0,0|3,0,0]=4 1466 B15R1.129 CN(CCCCO)Cc1cccc(c1)Cl 270004a_100000717598_100000210801 [0,1,0,0,0,0|3,0,0]=4 1467 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 2230a_100000184398_100000210776 [0,1,0,0,0,0|3,0,0]=4 1468 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 2230a_100000717598_100000230114 [0,1,0,0,0,0|3,0,0]=4 1469 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 269982a_100000184398_100000210776 [0,1,0,0,0,0|3,0,0]=4 1470 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 269982a_100000717598_100000230114 [0,1,0,0,0,0|3,0,0]=4 1471 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 270004a_100000717598_100000210812 [0,1,0,0,0,0|3,0,0]=4 1472 B15R1.129 CN(CCCCO)Cc1cccc(c1)F 34a_100000184398_100011216708 [0,1,0,0,0,0|3,0,0]=4 1473 B15R1.129 CN(CCCCO)Cc1cccc(c1)I 2230a_100000717598_100011218688 [0,1,0,0,0,0|3,0,0]=4 1474 B15R1.129 CN(CCCCO)Cc1cccc(c1)I 269982a_100000717598_100011218688 [0,1,0,0,0,0|3,0,0]=4 1475 B15R1.129 CN(CCCCO)Cc1cccc(c1)I 270004a_100000717598_100000014684 [0,1,0,0,0,0|3,0,0]=4 1476 B15R1.129 CN(CCCCO)Cc1cccc(c1)O 2230a_100000207540_100000210776 [0,1,0,0,0,0|3,0,0]=4 1477 B15R1.129 CN(CCCCO)Cc1cccc(c1)O 2230a_100000717598_100011660834 [0,1,0,0,0,0|3,0,0]=4 1478 B15R1.129 CN(CCCCO)Cc1cccc(c1)O 269982a_100000207540_100000210776 [0,1,0,0,0,0|3,0,0]=4 1479 B15R1.129 CN(CCCCO)Cc1cccc(c1)O 269982a_100000717598_100000084143 [0,1,0,0,0,0|3,0,0]=4 1480 B15R1.129 CN(CCCCO)Cc1cccc(c1)O 270004a_100000717598_100000188321 [0,1,0,0,0,0|3,0,0]=4 1481 B15R1.129 COCCNC(C)Cc1cc(ccn1)C 270004a_100000209980_200015184229 [0,1,0,0,0,0|3,0,0]=4 1482 B15R1.129 COCCNC(C)Cc1cccc(c1)Br 270004a_100000209980_100000689217 [0,1,0,0,0,0|2,0,0]=3 1483 B15R1.129 COCCNC(C)Cc1cccc(c1)Cl 270004a_100000209980_100000727212 [0,1,0,0,0,0|2,0,0]=3 1484 B15R1.129 COCCNC(C)Cc1cccc(c1)F 270004a_100000209980_100000687711 [0,1,0,0,0,0|2,0,0]=3 1485 B15R1.129 CSCCNC(C)Cc1cc(ccn1)C 270004a_100020590264_200015184229 [0,1,0,0,0,0|3,0,0]=4 1486 B15R1.129 CSCCNC(C)Cc1cccc(c1)Br 270004a_100020590264_100000689217 [0,1,0,0,0,0|2,0,0]=3 1487 B15R1.129 CSCCNC(C)Cc1cccc(c1)Cl 270004a_100020590264_100000727212 [0,1,0,0,0,0|2,0,0]=3 1488 B15R1.129 CSCCNC(C)Cc1cccc(c1)F 270004a_100020590264_100000687711 [0,1,0,0,0,0|2,0,0]=3 1489 B15R1.129 Cc1cccc(c1)CC(=O)NCCCF 11a_100015189416_100011206899 [0,1,0,0,0,0|1,1,1]=4 1490 B15R1.129 Cc1cccc(c1)CC(=O)NCCCF 1626a_100015189416_100011206899 [0,1,0,0,0,0|1,1,1]=4 1491 B15R1.129 Cc1cccc(c1)CC(=O)NCCCF 240690a_100015189416_100011206899 [0,1,0,0,0,0|1,1,1]=4 1492 B15R1.129 Cc1cccc(c1)CC(=O)NCCCF 527a_100015189416_100011206899 [0,1,0,0,0,0|1,1,1]=4 1493 B15R1.129 Cc1cccc(c1)CC(=O)NCCCO 240690a_100000182051_100011206899 [0,1,0,0,0,0|2,0,1]=4 1494 B15R1.129 Cc1cccc(c1)CC(=O)NCCCO 527a_100000182051_100011206899 [0,1,0,0,0,0|2,0,1]=4 1495 B15R1.129 Cc1cccc(c1)CN(C)CCCCF 2230a_102495364743_100000729493 [0,1,0,0,0,0|2,1,0]=4 1496 B15R1.129 Cc1cccc(c1)CN(C)CCCCF 269982a_102495364743_100000729493 [0,1,0,0,0,0|2,1,0]=4 1497 B15R1.129 Cc1cccc(c1)CN(C)CCCCF 34a_102495364743_100000729493 [0,1,0,0,0,0|2,1,0]=4 1498 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 2230a_100000717598_100000211840 [0,1,0,0,0,0|3,0,0]=4 1499 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 2230a_102495364743_100000210776 [0,1,0,0,0,0|3,0,0]=4 1500 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 269982a_100000717598_100000211840 [0,1,0,0,0,0|3,0,0]=4 1501 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 269982a_102495364743_100000210776 [0,1,0,0,0,0|3,0,0]=4 1502 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 270004a_100000717598_100000211157 [0,1,0,0,0,0|3,0,0]=4 1503 B15R1.129 Cc1cccc(c1)CN(C)CCCCO 34a_102495364743_100011216708 [0,1,0,0,0,0|3,0,0]=4 1504 B15R1.129 Cc1cccc(n1)CC(C)OCCCF 34a_200015421231_100011934791 [0,1,0,0,0,0|2,1,0]=4 1505 B15R1.129 Cc1cccc(n1)CC(C)OCCCO 34a_200015421231_100000230001 [0,1,0,0,0,0|3,0,0]=4 1506 B15R1.129 Cc1ccnc(c1)CC(C)NCCC#N 270004a_100000720768_200015184229 [0,1,0,0,0,0|2,0,1]=4 1507 B15R1.129 Cc1ccnc(c1)CC(C)NCCCF 270004a_100015189416_200015184229 [0,1,0,0,0,0|1,1,0]=3 1508 B15R1.129 Cc1ccnc(c1)CC(C)NCCCO 270004a_100000182051_200015184229 [0,1,0,0,0,0|2,0,0]=3 1509 B15R1.129 O=C(Cc1cccc(c1)Br)NCCCF 11a_100015189416_100000747190 [0,1,0,0,0,0|1,1,1]=4 1510 B15R1.129 O=C(Cc1cccc(c1)Br)NCCCF 240690a_100015189416_100000747190 [0,1,0,0,0,0|1,1,1]=4 1511 B15R1.129 O=C(Cc1cccc(c1)Br)NCCCF 527a_100015189416_100000747190 [0,1,0,0,0,0|1,1,1]=4 1512 B15R1.129 O=C(Cc1cccc(c1)Br)NCCCO 240690a_100000182051_100000747190 [0,1,0,0,0,0|2,0,1]=4 1513 B15R1.129 O=C(Cc1cccc(c1)Br)NCCCO 527a_100000182051_100000747190 [0,1,0,0,0,0|2,0,1]=4 1514 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCF 11a_100015189416_100000749307 [0,1,0,0,0,0|1,1,1]=4 1515 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCF 1626a_100015189416_100000749307 [0,1,0,0,0,0|1,1,1]=4 1516 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCF 240690a_100015189416_100000749307 [0,1,0,0,0,0|1,1,1]=4 1517 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCF 527a_100015189416_100000749307 [0,1,0,0,0,0|1,1,1]=4 1518 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000749307 [0,1,0,0,0,0|2,0,1]=4 1519 B15R1.129 O=C(Cc1cccc(c1)Cl)NCCCO 527a_100000182051_100000749307 [0,1,0,0,0,0|2,0,1]=4 1520 B15R1.129 O=C(Cc1cccc(c1)F)NCCCF 11a_100015189416_100000211661 [0,1,0,0,0,0|1,1,1]=4 1521 B15R1.129 O=C(Cc1cccc(c1)F)NCCCF 1626a_100015189416_100000211661 [0,1,0,0,0,0|1,1,1]=4 1522 B15R1.129 O=C(Cc1cccc(c1)F)NCCCF 240690a_100015189416_100000211661 [0,1,0,0,0,0|1,1,1]=4 1523 B15R1.129 O=C(Cc1cccc(c1)F)NCCCF 527a_100015189416_100000211661 [0,1,0,0,0,0|1,1,1]=4 1524 B15R1.129 O=C(Cc1cccc(c1)F)NCCCO 240690a_100000182051_100000211661 [0,1,0,0,0,0|2,0,1]=4 1525 B15R1.129 O=C(Cc1cccc(c1)F)NCCCO 527a_100000182051_100000211661 [0,1,0,0,0,0|2,0,1]=4 1526 B15R1.129 O=C(Cc1cccc(c1)I)NCCCF 11a_100015189416_100000238430 [0,1,0,0,0,0|1,1,1]=4 1527 B15R1.129 O=C(Cc1cccc(c1)I)NCCCF 1626a_100015189416_100000238430 [0,1,0,0,0,0|1,1,1]=4 1528 B15R1.129 O=C(Cc1cccc(c1)I)NCCCF 240690a_100015189416_100000238430 [0,1,0,0,0,0|1,1,1]=4 1529 B15R1.129 O=C(Cc1cccc(c1)I)NCCCF 527a_100015189416_100000238430 [0,1,0,0,0,0|1,1,1]=4 1530 B15R1.129 O=C(Cc1cccc(c1)I)NCCCO 240690a_100000182051_100000238430 [0,1,0,0,0,0|2,0,1]=4 1531 B15R1.129 O=C(Cc1cccc(c1)I)NCCCO 527a_100000182051_100000238430 [0,1,0,0,0,0|2,0,1]=4 1532 B15R1.129 O=C(Cc1cccc(c1)O)NCCCF 240690a_100015189416_100000745134 [0,1,0,0,0,0|1,1,1]=4 1533 B15R1.129 O=C(Cc1cccc(c1)O)NCCCF 527a_100015189416_100000745134 [0,1,0,0,0,0|1,1,1]=4 1534 B15R1.129 O=C(Cc1cccc(c1)O)NCCCO 240690a_100000182051_100000745134 [0,1,0,0,0,0|2,0,1]=4 1535 B15R1.129 O=C(Cc1cccc(c1)O)NCCCO 527a_100000182051_100000745134 [0,1,0,0,0,0|2,0,1]=4 1536 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000692101_200011218536 [0,1,0,0,0,0|2,0,1]=4 1537 B15R1.551 C#CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000753159 [0,1,0,0,0,0|2,0,1]=4 1538 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000688953 [0,1,0,0,0,0|2,0,1]=4 1539 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000730999 [0,1,0,0,0,0|2,0,1]=4 1540 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000749702_200011218536 [0,1,0,0,0,0|2,0,1]=4 1541 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000754431 [0,1,0,0,0,0|2,0,1]=4 1542 B15R1.551 C=CCCN(C)C(C)C[n+]1ccccc1 270004a_100020639649_100000034229 [0,1,0,0,0,0|2,0,1]=4 1543 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 269982a_100020639649_200011218536 [0,1,0,0,0,0|1,0,1]=3 1544 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000754431 [0,1,0,0,0,0|2,0,1]=4 1545 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000754431 [0,1,0,0,0,0|2,0,1]=4 1546 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 270004a_100020639649_100015187140 [0,1,0,0,0,0|2,0,1]=4 1547 B15R1.551 C=CCCN(C)C(C)Cc1ccncc1 270004a_100020639649_100000238508 [0,1,0,0,0,0|2,0,1]=4 1548 B15R1.551 CC(C[n+]1ccccc1)N(C)CCC#N 270004a_100000184479_100000034229 [0,1,0,0,0,0|2,0,1]=4 1549 B15R1.551 CC(C[n+]1ccccc1)N(C)CCCO 270004a_100000213112_100000034229 [0,1,0,0,0,0|2,0,0]=3 1550 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100000754839_100011215226 [0,1,0,0,0,0|2,0,1]=4 1551 B15R1.551 CC(Cc1ccccc1)C(=O)CCC#N 1458a_100011934036_200011218536 [0,1,0,0,0,0|2,0,1]=4 1552 B15R1.551 CC(Cc1ccccc1)C(=O)CCCF 1458a_100000754839_100011934791 [0,1,0,0,0,0|1,1,0]=3 1553 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [0,1,0,0,0,0|2,0,0]=3 1554 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000754839 [0,1,0,0,0,0|2,1,0]=4 1555 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000754839 [0,1,0,0,0,0|2,1,0]=4 1556 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 240690a_100000724931_100000754839 [0,1,0,0,0,0|2,1,0]=4 1557 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 527a_100000724931_100000754839 [0,1,0,0,0,0|2,1,0]=4 1558 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000754839 [0,1,0,0,0,0|3,0,0]=4 1559 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000754839 [0,1,0,0,0,0|3,0,0]=4 1560 B15R1.551 CC(Cc1ccccc1)C(C)NCCF 269862a_100000724931_200011390852 [0,1,0,0,0,0|2,1,0]=4 1561 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 269862a_100000210304_200011390852 [0,1,0,0,0,0|3,0,0]=4 1562 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 270004a_100000210304_200011390852 [0,1,0,0,0,0|3,0,0]=4 1563 B15R1.551 CC(Cc1ccccc1)N(C)CCCO 269982a_100000213112_200011218536 [0,1,0,0,0,0|1,0,0]=2 1564 B15R1.551 CC(Cc1ccccn1)C(=O)CCCF 1458a_100012000792_100011934791 [0,1,0,0,0,0|2,1,0]=4 1565 B15R1.551 CC(Cc1ccccn1)C(=O)CCCO 1458a_100012000792_100011215043 [0,1,0,0,0,0|3,0,0]=4 1566 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 2230a_200011351704_100011215226 [0,1,0,0,0,0|2,0,1]=4 1567 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 269982a_200011351704_100011215226 [0,1,0,0,0,0|2,0,1]=4 1568 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 2230a_200011351704_100011934791 [0,1,0,0,0,0|1,1,0]=3 1569 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 269982a_200011351704_100011934791 [0,1,0,0,0,0|1,1,0]=3 1570 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 2230a_200011351704_100000230001 [0,1,0,0,0,0|2,0,0]=3 1571 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 269982a_200011351704_100011215043 [0,1,0,0,0,0|2,0,0]=3 1572 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 270004a_100000184479_100015187140 [0,1,0,0,0,0|2,0,1]=4 1573 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 270004a_100000213112_100015187140 [0,1,0,0,0,0|2,0,0]=3 1574 B15R1.551 CC(Cc1ccncc1)N(C)CCC#N 270004a_100000184479_100000238508 [0,1,0,0,0,0|2,0,1]=4 1575 B15R1.551 CC(Cc1ccncc1)N(C)CCCO 270004a_100000213112_100000238508 [0,1,0,0,0,0|2,0,0]=3 1576 B15R1.551 CC(Cc1cnccn1)N(C)CCCO 270004a_100000213112_100015184882 [0,1,0,0,0,0|3,0,0]=4 1577 B15R1.551 CC(Oc1ccccc1)C(=O)CCCF 1458a_100000188414_100011934791 [0,1,0,0,0,0|2,1,0]=4 1578 B15R1.551 CC(Oc1ccccc1)C(=O)CCCO 1458a_100000188414_100011215043 [0,1,0,0,0,0|3,0,0]=4 1579 B15R1.551 CC(Sc1ccccc1)C(=O)CCCF 1458a_100000199063_100011934791 [0,1,0,0,0,0|2,1,0]=4 1580 B15R1.551 CC(Sc1ccccc1)C(=O)CCCO 1458a_100000199063_100011215043 [0,1,0,0,0,0|3,0,0]=4 1581 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000210183_200011218536 [0,1,0,0,0,0|2,0,0]=3 1582 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210211 [0,1,0,0,0,0|2,0,0]=3 1583 B15R1.551 CCCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210211 [0,1,0,0,0,0|3,0,0]=4 1584 B15R1.551 CCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210211 [0,1,0,0,0,0|3,0,0]=4 1585 B15R1.551 CCCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210211 [0,1,0,0,0,0|3,0,0]=4 1586 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210183 [0,1,0,0,0,0|3,0,0]=4 1587 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210183 [0,1,0,0,0,0|3,0,0]=4 1588 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210183 [0,1,0,0,0,0|3,0,0]=4 1589 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210183 [0,1,0,0,0,0|3,0,0]=4 1590 B15R1.551 CCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210211 [0,1,0,0,0,0|3,0,0]=4 1591 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 2230a_100000186898_200011215066 [0,1,0,0,0,0|3,0,0]=4 1592 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 269982a_100000186898_200011215066 [0,1,0,0,0,0|3,0,0]=4 1593 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000210087 [0,1,0,0,0,0|3,0,0]=4 1594 B15R1.551 CCCCN(C)C(C)C[n+]1ccccc1 270004a_100000207549_100000034229 [0,1,0,0,0,0|2,0,0]=3 1595 B15R1.551 CCCCN(C)C(C)Cc1ccccc1 269982a_100000207549_200011218536 [0,1,0,0,0,0|1,0,0]=2 1596 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210211 [0,1,0,0,0,0|2,0,0]=3 1597 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210211 [0,1,0,0,0,0|2,0,0]=3 1598 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 270004a_100000207549_100015187140 [0,1,0,0,0,0|2,0,0]=3 1599 B15R1.551 CCCCN(C)C(C)Cc1ccncc1 270004a_100000207549_100000238508 [0,1,0,0,0,0|2,0,0]=3 1600 B15R1.551 CCCCN(C)C(C)Cc1cnccn1 270004a_100000207549_100015184882 [0,1,0,0,0,0|3,0,0]=4 1601 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 11a_100020643023_100000754839 [0,1,0,0,0,0|3,0,0]=4 1602 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 1626a_100020643023_100000754839 [0,1,0,0,0,0|3,0,0]=4 1603 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 240690a_100020643023_100000754839 [0,1,0,0,0,0|3,0,0]=4 1604 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 527a_100020643023_100000754839 [0,1,0,0,0,0|3,0,0]=4 1605 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 269862a_100020643023_200011390852 [0,1,0,0,0,0|3,0,0]=4 1606 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 270004a_100020643023_200011390852 [0,1,0,0,0,0|3,0,0]=4 1607 B15R1.551 CCOCC(=O)C(C)Cc1ccccc1 1458a_100000211967_200011218536 [0,1,0,0,0,0|3,0,0]=4 1608 B15R1.551 CCOCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000739092 [0,1,0,0,0,0|3,0,0]=4 1609 B15R1.551 CCSCC(=O)C(C)Cc1ccccc1 1458a_100000230394_200011218536 [0,1,0,0,0,0|3,0,0]=4 1610 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000749529_200011218536 [0,1,0,0,0,0|3,0,0]=4 1611 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000233755 [0,1,0,0,0,0|3,0,0]=4 1612 B15R1.551 COCCN(C)C(C)C[n+]1ccccc1 270004a_100000743101_100000034229 [0,1,0,0,0,0|3,0,0]=4 1613 B15R1.551 COCCN(C)C(C)Cc1ccccc1 269982a_100000743101_200011218536 [0,1,0,0,0,0|2,0,0]=3 1614 B15R1.551 COCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011201679 [0,1,0,0,0,0|3,0,0]=4 1615 B15R1.551 COCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000233755 [0,1,0,0,0,0|3,0,0]=4 1616 B15R1.551 COCCN(C)C(C)Cc1cccnc1 270004a_100000743101_100015187140 [0,1,0,0,0,0|3,0,0]=4 1617 B15R1.551 COCCN(C)C(C)Cc1ccncc1 270004a_100000743101_100000238508 [0,1,0,0,0,0|3,0,0]=4 1618 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000174002_200011218536 [0,1,0,0,0,0|3,0,0]=4 1619 B15R1.551 CSCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000751147 [0,1,0,0,0,0|3,0,0]=4 1620 B15R1.551 CSCCN(C)C(C)C[n+]1ccccc1 270004a_100000686725_100000034229 [0,1,0,0,0,0|3,0,0]=4 1621 B15R1.551 CSCCN(C)C(C)Cc1ccccc1 269982a_100000686725_200011218536 [0,1,0,0,0,0|2,0,0]=3 1622 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000751147 [0,1,0,0,0,0|3,0,0]=4 1623 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000212216 [0,1,0,0,0,0|3,0,0]=4 1624 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 270004a_100000686725_100015187140 [0,1,0,0,0,0|3,0,0]=4 1625 B15R1.551 CSCCN(C)C(C)Cc1ccncc1 270004a_100000686725_100000238508 [0,1,0,0,0,0|3,0,0]=4 1626 B15R1.551 O=C(CCCF)[C@H](O)Cc1ccccc1 1458a_100009816399_100011934791 [0,1,0,0,0,0|2,1,0]=4 1627 B15R1.551 O=C(CCCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100011215043 [0,1,0,0,0,0|3,0,0]=4 1628 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [0,1,0,0,0,0|2,0,1]=4 1629 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [0,1,0,0,0,0|2,0,1]=4 1630 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 34a_100000731007_200011218536 [0,1,0,0,0,0|2,0,1]=4 1631 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 7a_100000731007_200011218536 [0,1,0,0,0,0|2,0,1]=4 1632 B15R1.809 CC(CC#N)NC(C)Cc1ccccn1 2230a_100000238496_100009813641 [0,1,0,0,0,0|2,0,1]=4 1633 B15R1.809 CC(CC#N)NC(C)Cc1cccnc1 2230a_100011207255_100009813641 [0,1,0,0,0,0|2,0,1]=4 1634 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 7a_100000748627_100009813641 [0,1,0,0,0,0|2,0,1]=4 1635 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_100009813641_200011218536 [0,1,0,0,0,0|2,0,1]=4 1636 B15R1.809 CC(CC#N)SC(C)Cc1ccccc1 62a_200011218536_100009813641 [0,1,0,0,0,0|2,0,1]=4 1637 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,1,0,0,0,0|1,1,0]=3 1638 B15R1.809 CC(CCO)NC(C)Cc1ccccn1 2230a_100000238496_100009893172 [0,1,0,0,0,0|2,0,0]=3 1639 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 2230a_100011207255_100009893172 [0,1,0,0,0,0|2,0,0]=3 1640 B15R1.809 CC(CCO)NC(C)Cc1cnccn1 2230a_100011277835_100009893172 [0,1,0,0,0,0|3,0,0]=4 1641 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,1,0,0,0,0|2,0,0]=3 1642 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,1,0,0,0,0|2,0,0]=3 1643 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,1,0,0,0,0|2,0,0]=3 1644 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,1,0,0,0,0|2,0,0]=3 1645 B15R1.809 CC(C[n+]1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000034229 [0,1,0,0,0,0|2,0,0]=3 1646 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,1,0,0,0,0|1,0,0]=2 1647 B15R1.809 CC(Cc1ccccn1)NC(=O)CCO 240690a_100000238496_100011216618 [0,1,0,0,0,0|2,0,1]=4 1648 B15R1.809 CC(Cc1cccnc1)NC(=O)CCO 240690a_100011207255_100011216618 [0,1,0,0,0,0|2,0,1]=4 1649 B15R1.809 CC(Cc1cccnc1)N[C@H](C)CCO 270004a_100000706166_100015187140 [0,1,0,0,0,0|2,0,0]=3 1650 B15R1.809 CC(Cc1ccncc1)N[C@H](C)CCO 270004a_100000706166_100000238508 [0,1,0,0,0,0|2,0,0]=3 1651 B15R1.809 CC(Cc1cnccn1)N[C@H](C)CCO 270004a_100000706166_100015184882 [0,1,0,0,0,0|3,0,0]=4 1652 B15R1.809 CCCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000211992 [0,1,0,0,0,0|2,0,1]=4 1653 B15R1.809 CCCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000211992 [0,1,0,0,0,0|2,0,1]=4 1654 B15R1.809 CCCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000211992 [0,1,0,0,0,0|2,0,1]=4 1655 B15R1.809 CCCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000211992 [0,1,0,0,0,0|2,0,1]=4 1656 B15R1.809 CCCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000211992 [0,1,0,0,0,0|2,0,1]=4 1657 B15R1.809 CCCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000211992 [0,1,0,0,0,0|2,0,1]=4 1658 B15R1.809 CCCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000211992 [0,1,0,0,0,0|2,0,1]=4 1659 B15R1.809 CCCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000211992 [0,1,0,0,0,0|2,0,1]=4 1660 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100011216630 [0,1,0,0,0,0|3,0,0]=4 1661 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100011216630 [0,1,0,0,0,0|3,0,0]=4 1662 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243154 [0,1,0,0,0,0|3,0,0]=4 1663 B15R1.809 CCCC(C)NC(C)C[n+]1ccccc1 270004a_100000741246_100000034229 [0,1,0,0,0,0|2,0,0]=3 1664 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000766640 [0,1,0,0,0,0|2,0,0]=3 1665 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000211909 [0,1,0,0,0,0|2,0,0]=3 1666 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000766640 [0,1,0,0,0,0|2,0,0]=3 1667 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100000741246_100015187140 [0,1,0,0,0,0|2,0,0]=3 1668 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000211909 [0,1,0,0,0,0|2,0,0]=3 1669 B15R1.809 CCCC(C)NC(C)Cc1ccncc1 270004a_100000741246_100000238508 [0,1,0,0,0,0|2,0,0]=3 1670 B15R1.809 CCCC(C)NC(C)Cc1cnccn1 2230a_100011277835_100000766640 [0,1,0,0,0,0|3,0,0]=4 1671 B15R1.809 CCCC(C)NC(C)Cc1cnccn1 270004a_100000741246_100015184882 [0,1,0,0,0,0|3,0,0]=4 1672 B15R1.809 CCCC(C)NC(C)Cc1cnccn1 270004a_100011277835_100000211909 [0,1,0,0,0,0|3,0,0]=4 1673 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,1,0,0,0,0|2,0,0]=3 1674 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,1,0,0,0,0|2,0,0]=3 1675 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,1,0,0,0,0|2,0,0]=3 1676 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,1,0,0,0,0|2,0,0]=3 1677 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,1,0,0,0,0|2,0,0]=3 1678 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,1,0,0,0,0|2,0,0]=3 1679 B15R1.809 COCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000765312 [0,1,0,0,0,0|3,0,0]=4 1680 B15R1.809 COCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000749346 [0,1,0,0,0,0|3,0,0]=4 1681 B15R1.809 COCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000765312 [0,1,0,0,0,0|3,0,0]=4 1682 B15R1.809 COCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000749346 [0,1,0,0,0,0|3,0,0]=4 1683 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [0,1,0,0,0,0|3,0,0]=4 1684 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [0,1,0,0,0,0|3,0,0]=4 1685 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [0,1,0,0,0,0|3,0,0]=4 1686 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [0,1,0,0,0,0|3,0,0]=4 1687 B15R1.809 COC[C@@H](C)NC(C)C[n+]1ccccc1 270004a_100000764878_100000034229 [0,1,0,0,0,0|3,0,0]=4 1688 B15R1.809 COC[C@@H](C)NC(C)Cc1cccnc1 270004a_100000764878_100015187140 [0,1,0,0,0,0|3,0,0]=4 1689 B15R1.809 COC[C@@H](C)NC(C)Cc1ccncc1 270004a_100000764878_100000238508 [0,1,0,0,0,0|3,0,0]=4 1690 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [0,1,0,0,0,0|3,0,0]=4 1691 B15R1.809 CSCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011216314 [0,1,0,0,0,0|3,0,0]=4 1692 B15R1.809 CSCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011216314 [0,1,0,0,0,0|3,0,0]=4 1693 B15R1.964 C=CC(C)COC(C)Cc1ccccc1 34a_100011215527_200011218536 [0,1,0,0,0,0|2,0,1]=4 1694 B15R1.964 C=CC(C)COC(C)Cc1ccccc1 7a_100011215527_200011218536 [0,1,0,0,0,0|2,0,1]=4 1695 B15R1.964 C=CC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100000730141 [0,1,0,0,0,0|2,0,1]=4 1696 B15R1.964 C=CC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100000730141 [0,1,0,0,0,0|2,0,1]=4 1697 B15R1.964 C=CC(O)COC(C)Cc1ccccc1 34a_100000748627_100000730141 [0,1,0,0,0,0|2,0,1]=4 1698 B15R1.964 C=CC(O)COC(C)Cc1ccccc1 7a_100000748627_100000730141 [0,1,0,0,0,0|2,0,1]=4 1699 B15R1.964 C=CC(O)CSC(C)Cc1ccccc1 62a_100000730141_200011218536 [0,1,0,0,0,0|2,0,1]=4 1700 B15R1.964 C=CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100000730141 [0,1,0,0,0,0|2,0,1]=4 1701 B15R1.964 C=C[C@H](N)COC(C)Cc1ccccc1 34a_100016989147_200011218536 [0,1,0,0,0,0|2,0,1]=4 1702 B15R1.964 CC(CN)COC(C)Cc1ccccc1 34a_100000744482_200011218536 [0,1,0,0,0,0|2,0,0]=3 1703 B15R1.964 CC(CO)CNC(C)Cc1ccccc1 34a_100000744482_200011218536 [0,1,0,0,0,0|1,0,0]=2 1704 B15R1.964 CC(COC(C)CO)Cc1ccccc1 34a_100012125295_100012180447 [0,1,0,0,0,0|3,0,0]=4 1705 B15R1.964 CC(COC(C)CO)Cc1ccccc1 7a_100012125295_100012180447 [0,1,0,0,0,0|3,0,0]=4 1706 B15R1.964 CC(C[n+]1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000034229 [0,1,0,0,0,0|2,0,0]=3 1707 B15R1.964 CC(Cc1ccccc1)NC[C@@H](F)CO 34a_100015665980_200011218536 [0,1,0,0,0,0|1,0,0]=2 1708 B15R1.964 CC(Cc1ccccc1)OCC(Cl)CCl 34a_100000033668_200011218536 [0,1,0,0,0,0|1,0,0]=2 1709 B15R1.964 CC(Cc1ccccc1)OCC(O)CO 34a_100000748627_100011219619 [0,1,0,0,0,0|2,0,0]=3 1710 B15R1.964 CC(Cc1ccccc1)OCC(O)CO 7a_100000748627_100011219619 [0,1,0,0,0,0|2,0,0]=3 1711 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 34a_100000748627_100000059175 [0,1,0,0,0,0|2,0,0]=3 1712 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 7a_100000748627_100000059175 [0,1,0,0,0,0|2,0,0]=3 1713 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CF 34a_100000748627_100015614560 [0,1,0,0,0,0|1,1,0]=3 1714 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CF 7a_100000748627_100015614560 [0,1,0,0,0,0|1,1,0]=3 1715 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CO 34a_100000748627_100009815848 [0,1,0,0,0,0|2,0,0]=3 1716 B15R1.964 CC(Cc1ccccc1)OC[C@@H](O)CO 7a_100000748627_100009815848 [0,1,0,0,0,0|2,0,0]=3 1717 B15R1.964 CC(Cc1ccccc1)OC[C@H](F)CN 34a_100015665980_200011218536 [0,1,0,0,0,0|2,0,0]=3 1718 B15R1.964 CC(Cc1ccccc1)SCC(O)CO 62a_100011219619_200011218536 [0,1,0,0,0,0|2,0,0]=3 1719 B15R1.964 CC(Cc1ccccc1)SCC(O)CO 62a_200011218536_100011219619 [0,1,0,0,0,0|2,0,0]=3 1720 B15R1.964 CC(Cc1ccccc1)SC[C@@H](C)CO 62a_100000059175_200011218536 [0,1,0,0,0,0|2,0,0]=3 1721 B15R1.964 CC(Cc1ccccc1)SC[C@@H](C)CO 62a_200011218536_100000059175 [0,1,0,0,0,0|2,0,0]=3 1722 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CF 62a_100015614560_200011218536 [0,1,0,0,0,0|1,1,0]=3 1723 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CF 62a_200011218536_100015614560 [0,1,0,0,0,0|1,1,0]=3 1724 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CO 62a_100009815848_200011218536 [0,1,0,0,0,0|2,0,0]=3 1725 B15R1.964 CC(Cc1ccccc1)SC[C@@H](O)CO 62a_200011218536_100009815848 [0,1,0,0,0,0|2,0,0]=3 1726 B15R1.964 CC(Cc1ccccn1)NCC(O)CO 2230a_100000238496_100011219619 [0,1,0,0,0,0|2,0,0]=3 1727 B15R1.964 CC(Cc1ccccn1)NC[C@@H](C)CO 2230a_100000238496_100000059175 [0,1,0,0,0,0|2,0,0]=3 1728 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CF 2230a_100000238496_100015614560 [0,1,0,0,0,0|1,1,0]=3 1729 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CO 2230a_100000238496_100009815848 [0,1,0,0,0,0|2,0,0]=3 1730 B15R1.964 CC(Cc1cccnc1)NCC(O)CO 2230a_100011207255_100011219619 [0,1,0,0,0,0|2,0,0]=3 1731 B15R1.964 CC(Cc1cccnc1)NC[C@@H](C)CO 2230a_100011207255_100000059175 [0,1,0,0,0,0|2,0,0]=3 1732 B15R1.964 CC(Cc1cccnc1)NC[C@@H](F)CO 270004a_100015665980_100015187140 [0,1,0,0,0,0|2,0,0]=3 1733 B15R1.964 CC(Cc1cccnc1)NC[C@@H](O)CF 2230a_100011207255_100015614560 [0,1,0,0,0,0|1,1,0]=3 1734 B15R1.964 CC(Cc1cccnc1)NC[C@@H](O)CO 2230a_100011207255_100009815848 [0,1,0,0,0,0|2,0,0]=3 1735 B15R1.964 CC(Cc1ccncc1)NC[C@@H](F)CO 270004a_100015665980_100000238508 [0,1,0,0,0,0|2,0,0]=3 1736 B15R1.964 CC(Cc1cnccn1)NCC(O)CO 2230a_100011277835_100011219619 [0,1,0,0,0,0|3,0,0]=4 1737 B15R1.964 CC(Cc1cnccn1)NC[C@@H](C)CO 2230a_100011277835_100000059175 [0,1,0,0,0,0|3,0,0]=4 1738 B15R1.964 CC(Cc1cnccn1)NC[C@@H](F)CO 270004a_100015665980_100015184882 [0,1,0,0,0,0|3,0,0]=4 1739 B15R1.964 CC(Cc1cnccn1)NC[C@@H](O)CF 2230a_100011277835_100015614560 [0,1,0,0,0,0|2,1,0]=4 1740 B15R1.964 CC(Cc1cnccn1)NC[C@@H](O)CO 2230a_100011277835_100009815848 [0,1,0,0,0,0|3,0,0]=4 1741 B15R1.964 CCC(=O)COC(C)Cc1ccccc1 34a_100000725409_200011218536 [0,1,0,0,0,0|2,0,1]=4 1742 B15R1.964 CCC(=O)COC(C)Cc1ccccc1 7a_100000748627_100000747405 [0,1,0,0,0,0|2,0,1]=4 1743 B15R1.964 CCC(=O)CSC(C)Cc1ccccc1 62a_100000747405_200011218536 [0,1,0,0,0,0|2,0,1]=4 1744 B15R1.964 CCC(=O)CSC(C)Cc1ccccc1 62a_200011218536_100000747405 [0,1,0,0,0,0|2,0,1]=4 1745 B15R1.964 CCC(C)CNC(C)C[n+]1ccccc1 270004a_100020588543_100000034229 [0,1,0,0,0,0|2,0,0]=3 1746 B15R1.964 CCC(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000748023 [0,1,0,0,0,0|2,0,0]=3 1747 B15R1.964 CCC(C)CNC(C)Cc1ccccn1 270004a_100000238496_100000243153 [0,1,0,0,0,0|2,0,0]=3 1748 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000748023 [0,1,0,0,0,0|2,0,0]=3 1749 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 270004a_100011207255_100000243153 [0,1,0,0,0,0|2,0,0]=3 1750 B15R1.964 CCC(C)CNC(C)Cc1cccnc1 270004a_100020588543_100015187140 [0,1,0,0,0,0|2,0,0]=3 1751 B15R1.964 CCC(C)CNC(C)Cc1ccncc1 270004a_100020588543_100000238508 [0,1,0,0,0,0|2,0,0]=3 1752 B15R1.964 CCC(C)CNC(C)Cc1cnccn1 2230a_100011277835_100000748023 [0,1,0,0,0,0|3,0,0]=4 1753 B15R1.964 CCC(C)CNC(C)Cc1cnccn1 270004a_100011277835_100000243153 [0,1,0,0,0,0|3,0,0]=4 1754 B15R1.964 CCC(C)CNC(C)Cc1cnccn1 270004a_100020588543_100015184882 [0,1,0,0,0,0|3,0,0]=4 1755 B15R1.964 CCC(C)COC(C)Cc1ccccc1 34a_100000748627_100000748023 [0,1,0,0,0,0|2,0,0]=3 1756 B15R1.964 CCC(C)COC(C)Cc1ccccc1 7a_100000748627_100000748023 [0,1,0,0,0,0|2,0,0]=3 1757 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_100000748023_200011218536 [0,1,0,0,0,0|2,0,0]=3 1758 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000748023 [0,1,0,0,0,0|2,0,0]=3 1759 B15R1.964 CCC(C)OCC(C)Cc1ccccc1 34a_100012125295_100011215416 [0,1,0,0,0,0|3,0,0]=4 1760 B15R1.964 CCC(C)OCC(C)Cc1ccccc1 7a_100012125295_100000758301 [0,1,0,0,0,0|3,0,0]=4 1761 B15R1.964 CCC(O)CNC(C)C[n+]1ccccc1 270004a_100011218483_100000034229 [0,1,0,0,0,0|2,0,0]=3 1762 B15R1.964 CCC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100011218378 [0,1,0,0,0,0|2,0,0]=3 1763 B15R1.964 CCC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100011218378 [0,1,0,0,0,0|2,0,0]=3 1764 B15R1.964 CCC(O)CNC(C)Cc1cccnc1 270004a_100011218483_100015187140 [0,1,0,0,0,0|2,0,0]=3 1765 B15R1.964 CCC(O)CNC(C)Cc1ccncc1 270004a_100011218483_100000238508 [0,1,0,0,0,0|2,0,0]=3 1766 B15R1.964 CCC(O)CNC(C)Cc1cnccn1 2230a_100011277835_100011218378 [0,1,0,0,0,0|3,0,0]=4 1767 B15R1.964 CCC(O)CNC(C)Cc1cnccn1 270004a_100011218483_100015184882 [0,1,0,0,0,0|3,0,0]=4 1768 B15R1.964 CCC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218378 [0,1,0,0,0,0|2,0,0]=3 1769 B15R1.964 CCC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218378 [0,1,0,0,0,0|2,0,0]=3 1770 B15R1.964 CCC(O)CSC(C)Cc1ccccc1 62a_100011218378_200011218536 [0,1,0,0,0,0|2,0,0]=3 1771 B15R1.964 CCC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218378 [0,1,0,0,0,0|2,0,0]=3 1772 B15R1.964 CC[C@H](C)CNC(C)Cc1ccccn1 2230a_100000238496_100009816398 [0,1,0,0,0,0|2,0,0]=3 1773 B15R1.964 CC[C@H](C)CNC(C)Cc1cccnc1 2230a_100011207255_100009816398 [0,1,0,0,0,0|2,0,0]=3 1774 B15R1.964 CC[C@H](C)CNC(C)Cc1cnccn1 2230a_100011277835_100009816398 [0,1,0,0,0,0|3,0,0]=4 1775 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 34a_100000748627_100009816398 [0,1,0,0,0,0|2,0,0]=3 1776 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100000748627_100009816398 [0,1,0,0,0,0|2,0,0]=3 1777 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100009816381_200011218536 [0,1,0,0,0,0|2,0,0]=3 1778 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_100009816398_200011218536 [0,1,0,0,0,0|2,0,0]=3 1779 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_200011218536_100009816398 [0,1,0,0,0,0|2,0,0]=3 1780 B15R1.964 COC(C)COC(C)Cc1ccccc1 34a_100000690652_200011218536 [0,1,0,0,0,0|3,0,0]=4 1781 B15R1.964 CO[C@H](C)CNC(C)C[n+]1ccccc1 270004a_100020591295_100000034229 [0,1,0,0,0,0|3,0,0]=4 1782 B15R1.964 CO[C@H](C)CNC(C)Cc1cccnc1 270004a_100020591295_100015187140 [0,1,0,0,0,0|3,0,0]=4 1783 B15R1.964 CO[C@H](C)CNC(C)Cc1ccncc1 270004a_100020591295_100000238508 [0,1,0,0,0,0|3,0,0]=4 1784 B15R1.1035 C#CC(Cc1ccccc1)OCCCC 34a_100000685211_100000210210 [0,1,0,0,0,0|2,0,1]=4 1785 B15R1.1035 C#CC(Cc1ccccc1)OCCCC 7a_100000685211_100000210211 [0,1,0,0,0,0|2,0,1]=4 1786 B15R1.1035 C#CC(Cc1ccccc1)OCCCF 34a_100000685211_100011934791 [0,1,0,0,0,0|1,1,1]=4 1787 B15R1.1035 C#CC(Cc1ccccc1)OCCCF 7a_100000685211_100011934791 [0,1,0,0,0,0|1,1,1]=4 1788 B15R1.1035 C#CC(Cc1ccccc1)OCCCO 34a_100000685211_100000230001 [0,1,0,0,0,0|2,0,1]=4 1789 B15R1.1035 C#CC(Cc1ccccc1)OCCCO 7a_100000685211_100011215043 [0,1,0,0,0,0|2,0,1]=4 1790 B15R1.1035 C#CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000688953 [0,1,0,0,0,0|1,0,2]=4 1791 B15R1.1035 C#CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000688953 [0,1,0,0,0,0|1,0,1]=3 1792 B15R1.1035 C#CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000688953 [0,1,0,0,0,0|2,0,1]=4 1793 B15R1.1035 C#CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000688953 [0,1,0,0,0,0|2,0,1]=4 1794 B15R1.1035 C#CCCOC(CC)Cc1ccccc1 7a_100000760156_100000688953 [0,1,0,0,0,0|2,0,1]=4 1795 B15R1.1035 C#CCCOC(CN)Cc1ccccc1 34a_100000752270_100000688953 [0,1,0,0,0,0|2,0,1]=4 1796 B15R1.1035 C#CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000688953 [0,1,0,0,0,0|2,0,1]=4 1797 B15R1.1035 C=CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000754431 [0,1,0,0,0,0|1,0,2]=4 1798 B15R1.1035 C=CCCNC(CC)Cc1ccccc1 270004a_100015191253_100000212045 [0,1,0,0,0,0|1,0,1]=3 1799 B15R1.1035 C=CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000754431 [0,1,0,0,0,0|1,0,1]=3 1800 B15R1.1035 C=CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000754431 [0,1,0,0,0,0|2,0,1]=4 1801 B15R1.1035 C=CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000754431 [0,1,0,0,0,0|2,0,1]=4 1802 B15R1.1035 C=CCCOC(CC)Cc1ccccc1 7a_100000760156_100000754431 [0,1,0,0,0,0|2,0,1]=4 1803 B15R1.1035 C=CCCOC(CN)Cc1ccccc1 34a_100000752270_100000754431 [0,1,0,0,0,0|2,0,1]=4 1804 B15R1.1035 C=CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000754431 [0,1,0,0,0,0|2,0,1]=4 1805 B15R1.1035 CC#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000748600 [0,1,0,0,0,0|1,0,2]=4 1806 B15R1.1035 CC=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000070051 [0,1,0,0,0,0|1,0,2]=4 1807 B15R1.1035 CCC(Cc1ccccc1)NCCC#N 270004a_100000720768_100000212045 [0,1,0,0,0,0|1,0,1]=3 1808 B15R1.1035 CCC(Cc1ccccc1)NCCCF 270004a_100015189416_100000212045 [0,1,0,0,0,0|0,1,0]=2 1809 B15R1.1035 CCC(Cc1ccccc1)NCCCO 270004a_100000182051_100000212045 [0,1,0,0,0,0|1,0,0]=2 1810 B15R1.1035 CCC(Cc1ccccc1)NCCOC 270004a_100000209980_100000212045 [0,1,0,0,0,0|2,0,0]=3 1811 B15R1.1035 CCC(Cc1ccccc1)NCCSC 270004a_100020590264_100000212045 [0,1,0,0,0,0|2,0,0]=3 1812 B15R1.1035 CCC(Cc1ccccc1)OCCC#N 7a_100000760156_100000184422 [0,1,0,0,0,0|2,0,1]=4 1813 B15R1.1035 CCC(Cc1ccccc1)OCCCF 7a_100000760156_100011934791 [0,1,0,0,0,0|1,1,0]=3 1814 B15R1.1035 CCC(Cc1ccccc1)OCCCO 7a_100000760156_100011215043 [0,1,0,0,0,0|2,0,0]=3 1815 B15R1.1035 CCC(Cc1ccccc1)OCCOC 7a_100000760156_100000233755 [0,1,0,0,0,0|3,0,0]=4 1816 B15R1.1035 CCC(Cc1ccccc1)OCCSC 7a_100000760156_100000212216 [0,1,0,0,0,0|3,0,0]=4 1817 B15R1.1035 CCCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210326 [0,1,0,0,0,0|3,0,0]=4 1818 B15R1.1035 CCCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210215 [0,1,0,0,0,0|3,0,0]=4 1819 B15R1.1035 CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210211 [0,1,0,0,0,0|1,0,1]=3 1820 B15R1.1035 CCCCNC(C#N)Cc1ccccc1 7a_106832991798_100000183401 [0,1,0,0,0,0|1,0,1]=3 1821 B15R1.1035 CCCCNC(CC)Cc1ccccc1 270004a_100000102301_100000212045 [0,1,0,0,0,0|1,0,0]=2 1822 B15R1.1035 CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210211 [0,1,0,0,0,0|1,0,0]=2 1823 B15R1.1035 CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210211 [0,1,0,0,0,0|2,0,0]=3 1824 B15R1.1035 CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210211 [0,1,0,0,0,0|2,0,0]=3 1825 B15R1.1035 CCCCOC(C#N)Cc1ccccc1 7a_100000210227_100000183401 [0,1,0,0,0,0|2,0,1]=4 1826 B15R1.1035 CCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210211 [0,1,0,0,0,0|2,0,0]=3 1827 B15R1.1035 CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000210210 [0,1,0,0,0,0|2,0,0]=3 1828 B15R1.1035 CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210211 [0,1,0,0,0,0|2,0,0]=3 1829 B15R1.1035 CCCCSC(C#N)Cc1ccccc1 62a_100000183401_100000210210 [0,1,0,0,0,0|2,0,1]=4 1830 B15R1.1035 CCCCSC(C#N)Cc1ccccc1 62a_100000210211_100000183401 [0,1,0,0,0,0|2,0,1]=4 1831 B15R1.1035 CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210303 [0,1,0,0,0,0|3,0,0]=4 1832 B15R1.1035 CCCOCC(CN)Cc1ccccc1 34a_100160572655_100000210303 [0,1,0,0,0,0|3,0,0]=4 1833 B15R1.1035 CCCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000210303 [0,1,0,0,0,0|3,0,0]=4 1834 B15R1.1035 CCN(CCCCF)Cc1ccccc1 2230a_100000186914_100000729493 [0,1,0,0,0,0|2,1,0]=4 1835 B15R1.1035 CCN(CCCCF)Cc1ccccc1 269982a_100000186914_100000729493 [0,1,0,0,0,0|2,1,0]=4 1836 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100000186360_100000210202 [0,1,0,0,0,0|3,0,0]=4 1837 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100000186914_100000210776 [0,1,0,0,0,0|3,0,0]=4 1838 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100011217355_100015291786 [0,1,0,0,0,0|3,0,0]=4 1839 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100000186360_100000204670 [0,1,0,0,0,0|3,0,0]=4 1840 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100000186914_100000210776 [0,1,0,0,0,0|3,0,0]=4 1841 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100011217355_100000211182 [0,1,0,0,0,0|3,0,0]=4 1842 B15R1.1035 CCN(CCCCO)Cc1ccccc1 270004a_100011217355_100015611070 [0,1,0,0,0,0|3,0,0]=4 1843 B15R1.1035 CN[C@H](COCCF)Cc1ccccc1 34a_100016995599_100011217306 [0,1,0,0,0,0|2,1,0]=4 1844 B15R1.1035 CN[C@H](COCCO)Cc1ccccc1 34a_100016995599_100000211926 [0,1,0,0,0,0|3,0,0]=4 1845 B15R1.1035 COCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011201679 [0,1,0,0,0,0|2,0,1]=4 1846 B15R1.1035 COCCNC(CO)Cc1ccccc1 2230a_100000739027_100011201679 [0,1,0,0,0,0|2,0,0]=3 1847 B15R1.1035 COCCNC(CO)Cc1cccnc1 2230a_100000717814_100011201679 [0,1,0,0,0,0|3,0,0]=4 1848 B15R1.1035 COCCNC(CO)Cc1ccncc1 2230a_100000717866_100011201679 [0,1,0,0,0,0|3,0,0]=4 1849 B15R1.1035 COCCOC(CN)Cc1ccccc1 34a_100000752270_100011201679 [0,1,0,0,0,0|3,0,0]=4 1850 B15R1.1035 COCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000233755 [0,1,0,0,0,0|3,0,0]=4 1851 B15R1.1035 CSCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000751147 [0,1,0,0,0,0|2,0,1]=4 1852 B15R1.1035 CSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000751147 [0,1,0,0,0,0|2,0,0]=3 1853 B15R1.1035 CSCCNC(CO)Cc1cccnc1 2230a_100000717814_100000751147 [0,1,0,0,0,0|3,0,0]=4 1854 B15R1.1035 CSCCNC(CO)Cc1ccncc1 2230a_100000717866_100000751147 [0,1,0,0,0,0|3,0,0]=4 1855 B15R1.1035 CSCCOC(CN)Cc1ccccc1 34a_100000752270_100000212216 [0,1,0,0,0,0|3,0,0]=4 1856 B15R1.1035 CSCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000212216 [0,1,0,0,0,0|3,0,0]=4 1857 B15R1.1035 FCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011934791 [0,1,0,0,0,0|1,1,0]=3 1858 B15R1.1035 N#CC(Cc1ccccc1)NCCCF 2230a_100000746547_100011934791 [0,1,0,0,0,0|0,1,1]=3 1859 B15R1.1035 N#CC(Cc1ccccc1)NCCCO 2230a_100000746547_100000230001 [0,1,0,0,0,0|1,0,1]=3 1860 B15R1.1035 N#CC(Cc1ccccc1)SCCCF 62a_100000183401_100011934791 [0,1,0,0,0,0|1,1,1]=4 1861 B15R1.1035 N#CC(Cc1ccccc1)SCCCF 62a_100011934791_100000183401 [0,1,0,0,0,0|1,1,1]=4 1862 B15R1.1035 N#CC(Cc1ccccc1)SCCCO 62a_100000183401_100011215043 [0,1,0,0,0,0|2,0,1]=4 1863 B15R1.1035 N#CC(Cc1ccccc1)SCCCO 62a_100011215043_100000183401 [0,1,0,0,0,0|2,0,1]=4 1864 B15R1.1035 N#CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011215226 [0,1,0,0,0,0|1,0,2]=4 1865 B15R1.1035 N#CCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215226 [0,1,0,0,0,0|1,0,1]=3 1866 B15R1.1035 N#CCCNC(CO)Cc1cccnc1 2230a_100000717814_100011215226 [0,1,0,0,0,0|2,0,1]=4 1867 B15R1.1035 N#CCCNC(CO)Cc1ccncc1 2230a_100000717866_100011215226 [0,1,0,0,0,0|2,0,1]=4 1868 B15R1.1035 N#CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000184422 [0,1,0,0,0,0|2,0,1]=4 1869 B15R1.1035 NCC(COCCF)Cc1ccccc1 34a_100160572655_100011217306 [0,1,0,0,0,0|2,1,0]=4 1870 B15R1.1035 NCC(COCCO)Cc1ccccc1 34a_100160572655_100000211926 [0,1,0,0,0,0|3,0,0]=4 1871 B15R1.1035 NCC(Cc1ccccc1)OCCCF 34a_100000752270_100011934791 [0,1,0,0,0,0|1,1,0]=3 1872 B15R1.1035 NCC(Cc1ccccc1)OCCCO 34a_100000752270_100000230001 [0,1,0,0,0,0|2,0,0]=3 1873 B15R1.1035 OCC(CNCCF)Cc1ccccc1 34a_100160572655_100011217306 [0,1,0,0,0,0|2,1,0]=4 1874 B15R1.1035 OCC(Cc1ccccc1)NCCCF 2230a_100000739027_100011934791 [0,1,0,0,0,0|0,1,0]=2 1875 B15R1.1035 OCC(Cc1cccnc1)NCCCF 2230a_100000717814_100011934791 [0,1,0,0,0,0|1,1,0]=3 1876 B15R1.1035 OCC(Cc1ccncc1)NCCCF 2230a_100000717866_100011934791 [0,1,0,0,0,0|1,1,0]=3 1877 B15R1.1035 OCCCCN(CF)Cc1ccccc1 269982a_100000186360_100015361967 [0,1,0,0,0,0|3,0,0]=4 1878 B15R1.1035 OCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000230001 [0,1,0,0,0,0|1,0,0]=2 1879 B15R1.1035 OCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000230001 [0,1,0,0,0,0|2,0,0]=3 1880 B15R1.1035 OCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000230001 [0,1,0,0,0,0|2,0,0]=3 1881 B15R1.1035 OCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215043 [0,1,0,0,0,0|2,0,0]=3 1882 B15R1.1035 OCCNCC(CO)Cc1ccccc1 34a_100160572655_100000211926 [0,1,0,0,0,0|3,0,0]=4 1883 B15R1.1081 C=C(Br)CCOC(C)Cc1ccccc1 34a_100009813270_200011218536 [0,1,0,0,0,0|1,1,1]=4 1884 B15R1.1081 C=C(C)CCNC(C)Cc1ccccn1 2230a_100000238496_100000730704 [0,1,0,0,0,0|2,0,1]=4 1885 B15R1.1081 C=C(C)CCNC(C)Cc1cccnc1 2230a_100011207255_100000730704 [0,1,0,0,0,0|2,0,1]=4 1886 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000730704 [0,1,0,0,0,0|2,0,1]=4 1887 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 34a_100000764851_200011218536 [0,1,0,0,0,0|2,0,1]=4 1888 B15R1.1081 C=C(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000730704 [0,1,0,0,0,0|2,0,1]=4 1889 B15R1.1081 C=C(C)CCSC(C)Cc1ccccc1 62a_100000730704_200011218536 [0,1,0,0,0,0|2,0,1]=4 1890 B15R1.1081 C=C(C)CCSC(C)Cc1ccccc1 62a_200011218536_100000730704 [0,1,0,0,0,0|2,0,1]=4 1891 B15R1.1081 CC(=CCNC(C)Cc1ccccc1)C 34a_100000718196_200011218536 [0,1,0,0,0,0|1,0,2]=4 1892 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 34a_100000759926_200011218536 [0,1,0,0,0,0|2,0,1]=4 1893 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 7a_100000748627_100000053229 [0,1,0,0,0,0|2,0,1]=4 1894 B15R1.1081 CC(=O)CCOC(C)Cc1ccccc1 7a_100000759926_200011218536 [0,1,0,0,0,0|2,0,1]=4 1895 B15R1.1081 CC(=O)CCSC(C)Cc1ccccc1 62a_100000053229_200011218536 [0,1,0,0,0,0|2,0,1]=4 1896 B15R1.1081 CC(=O)CCSC(C)Cc1ccccc1 62a_200011218536_100000053229 [0,1,0,0,0,0|2,0,1]=4 1897 B15R1.1081 CC(Br)CCOC(C)Cc1ccccc1 34a_100009893172_200011218536 [0,1,0,0,0,0|1,1,0]=3 1898 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 2230a_100000186898_100011214892 [0,1,0,0,0,0|3,0,0]=4 1899 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 269982a_100000186898_100011214892 [0,1,0,0,0,0|3,0,0]=4 1900 B15R1.1081 CC(C)CCNC(C)C[n+]1ccccc1 270004a_100000210545_100000034229 [0,1,0,0,0,0|2,0,0]=3 1901 B15R1.1081 CC(C)CCNC(C)Cc1ccccn1 2230a_100000238496_100000210312 [0,1,0,0,0,0|2,0,0]=3 1902 B15R1.1081 CC(C)CCNC(C)Cc1ccccn1 269862a_100000238496_100000185833 [0,1,0,0,0,0|2,0,0]=3 1903 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 2230a_100011207255_100000210312 [0,1,0,0,0,0|2,0,0]=3 1904 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 269862a_100011207255_100000185833 [0,1,0,0,0,0|2,0,0]=3 1905 B15R1.1081 CC(C)CCNC(C)Cc1cccnc1 270004a_100000210545_100015187140 [0,1,0,0,0,0|2,0,0]=3 1906 B15R1.1081 CC(C)CCNC(C)Cc1ccncc1 270004a_100000210545_100000238508 [0,1,0,0,0,0|2,0,0]=3 1907 B15R1.1081 CC(C)CCNC(C)Cc1cnccn1 2230a_100011277835_100000210312 [0,1,0,0,0,0|3,0,0]=4 1908 B15R1.1081 CC(C)CCNC(C)Cc1cnccn1 269862a_100011277835_100000185833 [0,1,0,0,0,0|3,0,0]=4 1909 B15R1.1081 CC(C)CCNC(C)Cc1cnccn1 270004a_100000210545_100015184882 [0,1,0,0,0,0|3,0,0]=4 1910 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000210254_200011218536 [0,1,0,0,0,0|2,0,0]=3 1911 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000210312 [0,1,0,0,0,0|2,0,0]=3 1912 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000210254_200011218536 [0,1,0,0,0,0|2,0,0]=3 1913 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000210626 [0,1,0,0,0,0|2,0,0]=3 1914 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_100000210312_200011218536 [0,1,0,0,0,0|2,0,0]=3 1915 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_200011218536_100000210312 [0,1,0,0,0,0|2,0,0]=3 1916 B15R1.1081 CC(C)COCC(C)Cc1ccccc1 34a_100012125295_100000210624 [0,1,0,0,0,0|3,0,0]=4 1917 B15R1.1081 CC(C)COCC(C)Cc1ccccc1 7a_100012125295_100000210760 [0,1,0,0,0,0|3,0,0]=4 1918 B15R1.1081 CC(C)OCOC(C)Cc1ccccc1 34a_100000748627_100000709892 [0,1,0,0,0,0|3,0,0]=4 1919 B15R1.1081 CC(C)OCSC(C)Cc1ccccc1 62a_100000709892_200011218536 [0,1,0,0,0,0|3,0,0]=4 1920 B15R1.1081 CC(C)OCSC(C)Cc1ccccc1 62a_200011218536_100000709892 [0,1,0,0,0,0|3,0,0]=4 1921 B15R1.1081 CC(COCC(F)F)Cc1ccccc1 34a_100012125295_100011934356 [0,1,0,0,0,0|2,1,0]=4 1922 B15R1.1081 CC(COCC(F)F)Cc1ccccc1 7a_100012125295_100011934356 [0,1,0,0,0,0|2,1,0]=4 1923 B15R1.1081 CC(COC[C@@H](C)O)Cc1ccccc1 34a_100012125295_100009817552 [0,1,0,0,0,0|3,0,0]=4 1924 B15R1.1081 CC(COC[C@@H](C)O)Cc1ccccc1 7a_100012125295_100009817552 [0,1,0,0,0,0|3,0,0]=4 1925 B15R1.1081 CC(C[n+]1ccccc1)NCCN(C)C 270004a_100000210585_100000034229 [0,1,0,0,0,0|3,0,0]=4 1926 B15R1.1081 CC(Cc1ccccc1)NOCC(=O)O 269956a_100000106656_200011218536 [0,1,0,0,0,0|2,0,1]=4 1927 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000748627_100000731001 [0,1,0,0,0,0|2,0,1]=4 1928 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000757172_200011218536 [0,1,0,0,0,0|2,0,1]=4 1929 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000748627_100000744528 [0,1,0,0,0,0|2,0,1]=4 1930 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000757172_200011218536 [0,1,0,0,0,0|2,0,1]=4 1931 B15R1.1081 CC(Cc1ccccc1)OCCC(F)F 34a_100103093639_200011218536 [0,1,0,0,0,0|1,1,0]=3 1932 B15R1.1081 CC(Cc1ccccc1)OCCN(C)C 7a_100000748627_100000755713 [0,1,0,0,0,0|3,0,0]=4 1933 B15R1.1081 CC(Cc1ccccc1)OCC[C@@H](C)N 34a_100000706166_200011218536 [0,1,0,0,0,0|2,0,0]=3 1934 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_100000744528_200011218536 [0,1,0,0,0,0|2,0,1]=4 1935 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_200011218536_100000744528 [0,1,0,0,0,0|2,0,1]=4 1936 B15R1.1081 CC(Cc1ccccc1)SCCN(C)C 62a_200011218536_100000755713 [0,1,0,0,0,0|3,0,0]=4 1937 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)N 2230a_100000238496_100000744528 [0,1,0,0,0,0|2,0,1]=4 1938 B15R1.1081 CC(Cc1ccccn1)NCOC(C)C 2230a_100000238496_100000709892 [0,1,0,0,0,0|3,0,0]=4 1939 B15R1.1081 CC(Cc1cccnc1)NCCC(=O)N 2230a_100011207255_100000744528 [0,1,0,0,0,0|2,0,1]=4 1940 B15R1.1081 CC(Cc1cccnc1)NCCN(C)C 270004a_100000210585_100015187140 [0,1,0,0,0,0|3,0,0]=4 1941 B15R1.1081 CC(Cc1cccnc1)NCOC(C)C 2230a_100011207255_100000709892 [0,1,0,0,0,0|3,0,0]=4 1942 B15R1.1081 CC(Cc1ccncc1)NCCN(C)C 270004a_100000210585_100000238508 [0,1,0,0,0,0|3,0,0]=4 1943 B15R1.1081 CC(O)CCCN(C)Cc1ccccc1 2230a_100000186898_200000718107 [0,1,0,0,0,0|3,0,0]=4 1944 B15R1.1081 CC(O)CCCN(C)Cc1ccccc1 269982a_100000186898_200000718107 [0,1,0,0,0,0|3,0,0]=4 1945 B15R1.1081 CC(O)CCNC(C)C[n+]1ccccc1 270004a_200000755665_100000034229 [0,1,0,0,0,0|2,0,0]=3 1946 B15R1.1081 CC(O)CCNC(C)Cc1ccccn1 2230a_100000238496_100012276601 [0,1,0,0,0,0|2,0,0]=3 1947 B15R1.1081 CC(O)CCNC(C)Cc1cccnc1 2230a_100011207255_100012276601 [0,1,0,0,0,0|2,0,0]=3 1948 B15R1.1081 CC(O)CCNC(C)Cc1cccnc1 270004a_200000755665_100015187140 [0,1,0,0,0,0|2,0,0]=3 1949 B15R1.1081 CC(O)CCNC(C)Cc1ccncc1 270004a_200000755665_100000238508 [0,1,0,0,0,0|2,0,0]=3 1950 B15R1.1081 CC(O)CCNC(C)Cc1cnccn1 2230a_100011277835_100012276601 [0,1,0,0,0,0|3,0,0]=4 1951 B15R1.1081 CC(O)CCNC(C)Cc1cnccn1 270004a_200000755665_100015184882 [0,1,0,0,0,0|3,0,0]=4 1952 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 34a_100000748627_100012276601 [0,1,0,0,0,0|2,0,0]=3 1953 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 7a_100000748627_100012276601 [0,1,0,0,0,0|2,0,0]=3 1954 B15R1.1081 CC(O)CCSC(C)Cc1ccccc1 62a_100012276601_200011218536 [0,1,0,0,0,0|2,0,0]=3 1955 B15R1.1081 CC(O)CCSC(C)Cc1ccccc1 62a_200011218536_100012276601 [0,1,0,0,0,0|2,0,0]=3 1956 B15R1.1081 CC(O)COCC(C)Cc1ccccc1 34a_100012125295_100011218427 [0,1,0,0,0,0|3,0,0]=4 1957 B15R1.1081 CC(O)COCC(C)Cc1ccccc1 7a_100012125295_100011218427 [0,1,0,0,0,0|3,0,0]=4 1958 B15R1.1081 C[C@@H](Cl)COC[C@@H](O)Cc1ccccc1 34a_100016084084_100000729385 [0,1,0,0,0,0|3,0,0]=4 1959 B15R1.1409 C=CCCNC(C)Cc1ccccc1Br 270004a_100015191253_100011350739 [0,1,0,0,0,0|1,0,1]=3 1960 B15R1.1409 C=CCCNC(C)Cc1ccccc1C 270004a_100015191253_200000764500 [0,1,0,0,0,0|1,0,1]=3 1961 B15R1.1409 C=CCCNC(C)Cc1ccccc1Cl 270004a_100015191253_100000758791 [0,1,0,0,0,0|1,0,1]=3 1962 B15R1.1409 C=CCCNC(C)Cc1ccccc1F 270004a_100015191253_100000709178 [0,1,0,0,0,0|1,0,1]=3 1963 B15R1.1409 C=CCCNC(C)Cc1ncccc1C 270004a_100015191253_100011823981 [0,1,0,0,0,0|2,0,1]=4 1964 B15R1.1409 CC(Cc1ccccc1Br)NCCC#N 270004a_100000720768_100011350739 [0,1,0,0,0,0|1,0,1]=3 1965 B15R1.1409 CC(Cc1ccccc1Br)NCCCF 270004a_100015189416_100011350739 [0,1,0,0,0,0|0,1,0]=2 1966 B15R1.1409 CC(Cc1ccccc1Br)NCCCO 270004a_100000182051_100011350739 [0,1,0,0,0,0|1,0,0]=2 1967 B15R1.1409 CC(Cc1ccccc1Cl)NCCC#N 270004a_100000720768_100000758791 [0,1,0,0,0,0|1,0,1]=3 1968 B15R1.1409 CC(Cc1ccccc1Cl)NCCCF 270004a_100015189416_100000758791 [0,1,0,0,0,0|0,1,0]=2 1969 B15R1.1409 CC(Cc1ccccc1Cl)NCCCO 270004a_100000182051_100000758791 [0,1,0,0,0,0|1,0,0]=2 1970 B15R1.1409 CC(Cc1ccccc1F)NCCC#N 270004a_100000720768_100000709178 [0,1,0,0,0,0|1,0,1]=3 1971 B15R1.1409 CC(Cc1ccccc1F)NCCCF 270004a_100015189416_100000709178 [0,1,0,0,0,0|0,1,0]=2 1972 B15R1.1409 CC(Cc1ccccc1F)NCCCO 270004a_100000182051_100000709178 [0,1,0,0,0,0|1,0,0]=2 1973 B15R1.1409 CCCCCC(C)Nc1ccccc1Br 34a_100000210017_200011218191 [0,1,0,0,0,0|3,0,0]=4 1974 B15R1.1409 CCCCCC(C)Nc1ccccc1C 34a_100015192222_200011218191 [0,1,0,0,0,0|3,0,0]=4 1975 B15R1.1409 CCCCCC(C)Nc1ccccc1Cl 34a_100000185783_200011218191 [0,1,0,0,0,0|3,0,0]=4 1976 B15R1.1409 CCCCCC(C)Nc1ccccc1F 34a_100000210422_200011218191 [0,1,0,0,0,0|3,0,0]=4 1977 B15R1.1409 CCCCCC(C)Nc1ccccc1I 34a_100000210053_200011218191 [0,1,0,0,0,0|3,0,0]=4 1978 B15R1.1409 CCCCCC(C)Nc1ccccc1O 34a_100000185747_200011218191 [0,1,0,0,0,0|3,0,0]=4 1979 B15R1.1409 CCCCCC(C)Oc1ccccc1Br 34a_100000181306_200011218191 [0,1,0,0,0,0|3,0,0]=4 1980 B15R1.1409 CCCCCC(C)Oc1ccccc1Br 7a_100000181306_200011218191 [0,1,0,0,0,0|3,0,0]=4 1981 B15R1.1409 CCCCCC(C)Oc1ccccc1C 34a_100000210338_200011218191 [0,1,0,0,0,0|3,0,0]=4 1982 B15R1.1409 CCCCCC(C)Oc1ccccc1C 7a_100000210338_200011218191 [0,1,0,0,0,0|3,0,0]=4 1983 B15R1.1409 CCCCCC(C)Oc1ccccc1Cl 34a_100000210172_200011218191 [0,1,0,0,0,0|3,0,0]=4 1984 B15R1.1409 CCCCCC(C)Oc1ccccc1Cl 7a_100000210172_200011218191 [0,1,0,0,0,0|3,0,0]=4 1985 B15R1.1409 CCCCCC(C)Oc1ccccc1F 34a_100000210171_200011218191 [0,1,0,0,0,0|3,0,0]=4 1986 B15R1.1409 CCCCCC(C)Oc1ccccc1F 7a_100000210171_200011218191 [0,1,0,0,0,0|3,0,0]=4 1987 B15R1.1409 CCCCCC(C)Oc1ccccc1I 34a_100000739446_200011218191 [0,1,0,0,0,0|3,0,0]=4 1988 B15R1.1409 CCCCCC(C)Oc1ccccc1I 7a_100000739446_200011218191 [0,1,0,0,0,0|3,0,0]=4 1989 B15R1.1409 CCCCCC(C)Oc1ccccc1N 34a_100000185747_200011218191 [0,1,0,0,0,0|3,0,0]=4 1990 B15R1.1409 CCCCCC(C)Oc1ccccc1N 7a_100000185747_200011218191 [0,1,0,0,0,0|3,0,0]=4 1991 B15R1.1409 CCCCCC(C)Sc1ccccc1Br 62a_100000695589_200011218191 [0,1,0,0,0,0|3,0,0]=4 1992 B15R1.1409 CCCCCC(C)Sc1ccccc1Br 62a_200011218191_100000695589 [0,1,0,0,0,0|3,0,0]=4 1993 B15R1.1409 CCCCCC(C)Sc1ccccc1C 62a_100000210755_200011218191 [0,1,0,0,0,0|3,0,0]=4 1994 B15R1.1409 CCCCCC(C)Sc1ccccc1C 62a_200011218191_100000210755 [0,1,0,0,0,0|3,0,0]=4 1995 B15R1.1409 CCCCCC(C)Sc1ccccc1Cl 62a_100000764095_200011218191 [0,1,0,0,0,0|3,0,0]=4 1996 B15R1.1409 CCCCCC(C)Sc1ccccc1Cl 62a_200011218191_100000764095 [0,1,0,0,0,0|3,0,0]=4 1997 B15R1.1409 CCCCCC(C)Sc1ccccc1F 62a_100011215700_200011218191 [0,1,0,0,0,0|3,0,0]=4 1998 B15R1.1409 CCCCCC(C)Sc1ccccc1F 62a_200011218191_100011215700 [0,1,0,0,0,0|3,0,0]=4 1999 B15R1.1409 CCCCCC(C)Sc1ccccc1N 62a_100000210017_200011218191 [0,1,0,0,0,0|3,0,0]=4 2000 B15R1.1409 CCCCCC(C)Sc1ccccc1N 62a_200011218191_100000210017 [0,1,0,0,0,0|3,0,0]=4 2001 B15R1.1409 CCCCCC(C)Sc1ccccc1O 62a_100000739446_200011218191 [0,1,0,0,0,0|3,0,0]=4 2002 B15R1.1409 CCCCCC(C)Sc1ccccc1O 62a_200011218191_100000739446 [0,1,0,0,0,0|3,0,0]=4 2003 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210326 [0,1,0,0,0,0|3,0,0]=4 2004 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 2230a_100000223495_100000184730 [0,1,0,0,0,0|3,0,0]=4 2005 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210215 [0,1,0,0,0,0|3,0,0]=4 2006 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 269982a_100000223495_100000184730 [0,1,0,0,0,0|3,0,0]=4 2007 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 26a_100000223495_100000181306 [0,1,0,0,0,0|3,0,0]=4 2008 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 270004a_100000223495_100000211189 [0,1,0,0,0,0|3,0,0]=4 2009 B15R1.1409 CCCCCN(C)Cc1ccccc1C 2230a_100000184421_100000210326 [0,1,0,0,0,0|3,0,0]=4 2010 B15R1.1409 CCCCCN(C)Cc1ccccc1C 2230a_100000223495_100000211839 [0,1,0,0,0,0|3,0,0]=4 2011 B15R1.1409 CCCCCN(C)Cc1ccccc1C 269982a_100000184421_100000210215 [0,1,0,0,0,0|3,0,0]=4 2012 B15R1.1409 CCCCCN(C)Cc1ccccc1C 269982a_100000223495_100000211839 [0,1,0,0,0,0|3,0,0]=4 2013 B15R1.1409 CCCCCN(C)Cc1ccccc1C 270004a_100000223495_100000211143 [0,1,0,0,0,0|3,0,0]=4 2014 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210326 [0,1,0,0,0,0|3,0,0]=4 2015 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 2230a_100000223495_100000187162 [0,1,0,0,0,0|3,0,0]=4 2016 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210215 [0,1,0,0,0,0|3,0,0]=4 2017 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 269982a_100000223495_100000187162 [0,1,0,0,0,0|3,0,0]=4 2018 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 26a_100000223495_100000210172 [0,1,0,0,0,0|3,0,0]=4 2019 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 270004a_100000223495_100000210073 [0,1,0,0,0,0|3,0,0]=4 2020 B15R1.1409 CCCCCN(C)Cc1ccccc1F 2230a_100000223495_100000211605 [0,1,0,0,0,0|3,0,0]=4 2021 B15R1.1409 CCCCCN(C)Cc1ccccc1F 2230a_100000742528_100000210326 [0,1,0,0,0,0|3,0,0]=4 2022 B15R1.1409 CCCCCN(C)Cc1ccccc1F 269982a_100000223495_100000211605 [0,1,0,0,0,0|3,0,0]=4 2023 B15R1.1409 CCCCCN(C)Cc1ccccc1F 269982a_100000742528_100000210215 [0,1,0,0,0,0|3,0,0]=4 2024 B15R1.1409 CCCCCN(C)Cc1ccccc1F 270004a_100000223495_100000210811 [0,1,0,0,0,0|3,0,0]=4 2025 B15R1.1409 CCCCCN(C)Cc1ccccc1F 34a_100000742528_100000718602 [0,1,0,0,0,0|3,0,0]=4 2026 B15R1.1409 CCCCCN(C)Cc1ccccc1I 2230a_100000223495_100011215278 [0,1,0,0,0,0|3,0,0]=4 2027 B15R1.1409 CCCCCN(C)Cc1ccccc1I 269982a_100000223495_100011215278 [0,1,0,0,0,0|3,0,0]=4 2028 B15R1.1409 CCCCCN(C)Cc1ccccc1I 270004a_100000223495_100000010305 [0,1,0,0,0,0|3,0,0]=4 2029 B15R1.1409 CCCCCN(C)Cc1ccccc1O 2230a_100015189988_100000210326 [0,1,0,0,0,0|3,0,0]=4 2030 B15R1.1409 CCCCCN(C)Cc1ccccc1O 269982a_100015189988_100000210215 [0,1,0,0,0,0|3,0,0]=4 2031 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 11a_100000102301_100000751119 [0,1,0,0,0,0|2,0,1]=4 2032 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 240690a_100000102301_100000751119 [0,1,0,0,0,0|2,0,1]=4 2033 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 527a_100000102301_100000751119 [0,1,0,0,0,0|2,0,1]=4 2034 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 11a_100000102301_100000212180 [0,1,0,0,0,0|2,0,1]=4 2035 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 1626a_100000102301_100000212180 [0,1,0,0,0,0|2,0,1]=4 2036 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 240690a_100000102301_100000212180 [0,1,0,0,0,0|2,0,1]=4 2037 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 527a_100000102301_100000212180 [0,1,0,0,0,0|2,0,1]=4 2038 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 11a_100000102301_100000183793 [0,1,0,0,0,0|2,0,1]=4 2039 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 1626a_100000102301_100000183793 [0,1,0,0,0,0|2,0,1]=4 2040 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 240690a_100000102301_100000183793 [0,1,0,0,0,0|2,0,1]=4 2041 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 527a_100000102301_100000183793 [0,1,0,0,0,0|2,0,1]=4 2042 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 11a_100000102301_100000212012 [0,1,0,0,0,0|2,0,1]=4 2043 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 1626a_100000102301_100000212012 [0,1,0,0,0,0|2,0,1]=4 2044 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 240690a_100000102301_100000212012 [0,1,0,0,0,0|2,0,1]=4 2045 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 527a_100000102301_100000212012 [0,1,0,0,0,0|2,0,1]=4 2046 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 11a_100000102301_100000036491 [0,1,0,0,0,0|2,0,1]=4 2047 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 1626a_100000102301_100000036491 [0,1,0,0,0,0|2,0,1]=4 2048 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 240690a_100000102301_100000036491 [0,1,0,0,0,0|2,0,1]=4 2049 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 527a_100000102301_100000036491 [0,1,0,0,0,0|2,0,1]=4 2050 B15R1.1409 CCCCNC(=O)Cc1ccccc1O 240690a_100000102301_100000743006 [0,1,0,0,0,0|2,0,1]=4 2051 B15R1.1409 CCCCNC(=O)Cc1ccccc1O 527a_100000102301_100000743006 [0,1,0,0,0,0|2,0,1]=4 2052 B15R1.1409 CCCCNC(C)Cc1ccccc1Br 270004a_100000102301_100011350739 [0,1,0,0,0,0|1,0,0]=2 2053 B15R1.1409 CCCCNC(C)Cc1ccccc1C 270004a_100000102301_200000764500 [0,1,0,0,0,0|1,0,0]=2 2054 B15R1.1409 CCCCNC(C)Cc1ccccc1Cl 270004a_100000102301_100000758791 [0,1,0,0,0,0|1,0,0]=2 2055 B15R1.1409 CCCCNC(C)Cc1ccccc1F 270004a_100000102301_100000709178 [0,1,0,0,0,0|1,0,0]=2 2056 B15R1.1409 CCCCNC(C)Cc1ncccc1C 270004a_100000102301_100011823981 [0,1,0,0,0,0|2,0,0]=3 2057 B15R1.1409 CN(CCCCF)Cc1ccccc1Br 2230a_100000184654_100000729493 [0,1,0,0,0,0|2,1,0]=4 2058 B15R1.1409 CN(CCCCF)Cc1ccccc1Br 269982a_100000184654_100000729493 [0,1,0,0,0,0|2,1,0]=4 2059 B15R1.1409 CN(CCCCF)Cc1ccccc1Cl 2230a_100000184507_100000729493 [0,1,0,0,0,0|2,1,0]=4 2060 B15R1.1409 CN(CCCCF)Cc1ccccc1Cl 269982a_100000184507_100000729493 [0,1,0,0,0,0|2,1,0]=4 2061 B15R1.1409 CN(CCCCF)Cc1ccccc1F 2230a_100000742528_100000729493 [0,1,0,0,0,0|2,1,0]=4 2062 B15R1.1409 CN(CCCCF)Cc1ccccc1F 269982a_100000742528_100000729493 [0,1,0,0,0,0|2,1,0]=4 2063 B15R1.1409 CN(CCCCF)Cc1ccccc1F 34a_100000742528_100000729493 [0,1,0,0,0,0|2,1,0]=4 2064 B15R1.1409 CN(CCCCF)Cc1ccccc1O 2230a_100015189988_100000729493 [0,1,0,0,0,0|2,1,0]=4 2065 B15R1.1409 CN(CCCCF)Cc1ccccc1O 269982a_100015189988_100000729493 [0,1,0,0,0,0|2,1,0]=4 2066 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 2230a_100000184654_100000210776 [0,1,0,0,0,0|3,0,0]=4 2067 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 2230a_100000717598_100000184730 [0,1,0,0,0,0|3,0,0]=4 2068 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 269982a_100000184654_100000210776 [0,1,0,0,0,0|3,0,0]=4 2069 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 269982a_100000717598_100000184730 [0,1,0,0,0,0|3,0,0]=4 2070 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 26a_100000717598_100000181306 [0,1,0,0,0,0|3,0,0]=4 2071 B15R1.1409 CN(CCCCO)Cc1ccccc1Br 270004a_100000717598_100000211189 [0,1,0,0,0,0|3,0,0]=4 2072 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 2230a_100000184507_100000210776 [0,1,0,0,0,0|3,0,0]=4 2073 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 2230a_100000717598_100000187162 [0,1,0,0,0,0|3,0,0]=4 2074 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 269982a_100000184507_100000210776 [0,1,0,0,0,0|3,0,0]=4 2075 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 269982a_100000717598_100000187162 [0,1,0,0,0,0|3,0,0]=4 2076 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 26a_100000717598_100000210172 [0,1,0,0,0,0|3,0,0]=4 2077 B15R1.1409 CN(CCCCO)Cc1ccccc1Cl 270004a_100000717598_100000210073 [0,1,0,0,0,0|3,0,0]=4 2078 B15R1.1409 CN(CCCCO)Cc1ccccc1F 2230a_100000717598_100000211605 [0,1,0,0,0,0|3,0,0]=4 2079 B15R1.1409 CN(CCCCO)Cc1ccccc1F 2230a_100000742528_100000210776 [0,1,0,0,0,0|3,0,0]=4 2080 B15R1.1409 CN(CCCCO)Cc1ccccc1F 269982a_100000717598_100000211605 [0,1,0,0,0,0|3,0,0]=4 2081 B15R1.1409 CN(CCCCO)Cc1ccccc1F 269982a_100000742528_100000210776 [0,1,0,0,0,0|3,0,0]=4 2082 B15R1.1409 CN(CCCCO)Cc1ccccc1F 270004a_100000717598_100000210811 [0,1,0,0,0,0|3,0,0]=4 2083 B15R1.1409 CN(CCCCO)Cc1ccccc1F 34a_100000742528_100011216708 [0,1,0,0,0,0|3,0,0]=4 2084 B15R1.1409 CN(CCCCO)Cc1ccccc1I 2230a_100000717598_100011215278 [0,1,0,0,0,0|3,0,0]=4 2085 B15R1.1409 CN(CCCCO)Cc1ccccc1I 269982a_100000717598_100011215278 [0,1,0,0,0,0|3,0,0]=4 2086 B15R1.1409 CN(CCCCO)Cc1ccccc1I 270004a_100000717598_100000010305 [0,1,0,0,0,0|3,0,0]=4 2087 B15R1.1409 CN(CCCCO)Cc1ccccc1O 2230a_100015189988_100000210776 [0,1,0,0,0,0|3,0,0]=4 2088 B15R1.1409 CN(CCCCO)Cc1ccccc1O 269982a_100015189988_100000210776 [0,1,0,0,0,0|3,0,0]=4 2089 B15R1.1409 COCCNC(C)Cc1ccccc1Br 270004a_100000209980_100011350739 [0,1,0,0,0,0|2,0,0]=3 2090 B15R1.1409 COCCNC(C)Cc1ccccc1C 270004a_100000209980_200000764500 [0,1,0,0,0,0|2,0,0]=3 2091 B15R1.1409 COCCNC(C)Cc1ccccc1Cl 270004a_100000209980_100000758791 [0,1,0,0,0,0|2,0,0]=3 2092 B15R1.1409 COCCNC(C)Cc1ccccc1F 270004a_100000209980_100000709178 [0,1,0,0,0,0|2,0,0]=3 2093 B15R1.1409 COCCNC(C)Cc1ncccc1C 270004a_100000209980_100011823981 [0,1,0,0,0,0|3,0,0]=4 2094 B15R1.1409 CSCCNC(C)Cc1ccccc1Br 270004a_100020590264_100011350739 [0,1,0,0,0,0|2,0,0]=3 2095 B15R1.1409 CSCCNC(C)Cc1ccccc1C 270004a_100020590264_200000764500 [0,1,0,0,0,0|2,0,0]=3 2096 B15R1.1409 CSCCNC(C)Cc1ccccc1Cl 270004a_100020590264_100000758791 [0,1,0,0,0,0|2,0,0]=3 2097 B15R1.1409 CSCCNC(C)Cc1ccccc1F 270004a_100020590264_100000709178 [0,1,0,0,0,0|2,0,0]=3 2098 B15R1.1409 CSCCNC(C)Cc1ncccc1C 270004a_100020590264_100011823981 [0,1,0,0,0,0|3,0,0]=4 2099 B15R1.1409 Cc1ccccc1CC(=O)NCCCF 11a_100015189416_100000212180 [0,1,0,0,0,0|1,1,1]=4 2100 B15R1.1409 Cc1ccccc1CC(=O)NCCCF 1626a_100015189416_100000212180 [0,1,0,0,0,0|1,1,1]=4 2101 B15R1.1409 Cc1ccccc1CC(=O)NCCCF 240690a_100015189416_100000212180 [0,1,0,0,0,0|1,1,1]=4 2102 B15R1.1409 Cc1ccccc1CC(=O)NCCCF 527a_100015189416_100000212180 [0,1,0,0,0,0|1,1,1]=4 2103 B15R1.1409 Cc1ccccc1CC(=O)NCCCO 240690a_100000182051_100000212180 [0,1,0,0,0,0|2,0,1]=4 2104 B15R1.1409 Cc1ccccc1CC(=O)NCCCO 527a_100000182051_100000212180 [0,1,0,0,0,0|2,0,1]=4 2105 B15R1.1409 Cc1ccccc1CC(C)NCCC#N 270004a_100000720768_200000764500 [0,1,0,0,0,0|1,0,1]=3 2106 B15R1.1409 Cc1ccccc1CC(C)NCCCF 270004a_100015189416_200000764500 [0,1,0,0,0,0|0,1,0]=2 2107 B15R1.1409 Cc1ccccc1CC(C)NCCCO 270004a_100000182051_200000764500 [0,1,0,0,0,0|1,0,0]=2 2108 B15R1.1409 Cc1ccccc1CN(C)CCCCF 2230a_100000184421_100000729493 [0,1,0,0,0,0|2,1,0]=4 2109 B15R1.1409 Cc1ccccc1CN(C)CCCCF 269982a_100000184421_100000729493 [0,1,0,0,0,0|2,1,0]=4 2110 B15R1.1409 Cc1ccccc1CN(C)CCCCO 2230a_100000184421_100000210776 [0,1,0,0,0,0|3,0,0]=4 2111 B15R1.1409 Cc1ccccc1CN(C)CCCCO 2230a_100000717598_100000211839 [0,1,0,0,0,0|3,0,0]=4 2112 B15R1.1409 Cc1ccccc1CN(C)CCCCO 269982a_100000184421_100000210776 [0,1,0,0,0,0|3,0,0]=4 2113 B15R1.1409 Cc1ccccc1CN(C)CCCCO 269982a_100000717598_100000211839 [0,1,0,0,0,0|3,0,0]=4 2114 B15R1.1409 Cc1ccccc1CN(C)CCCCO 270004a_100000717598_100000211143 [0,1,0,0,0,0|3,0,0]=4 2115 B15R1.1409 Cc1cccnc1CC(C)NCCC#N 270004a_100000720768_100011823981 [0,1,0,0,0,0|2,0,1]=4 2116 B15R1.1409 Cc1cccnc1CC(C)NCCCF 270004a_100015189416_100011823981 [0,1,0,0,0,0|1,1,0]=3 2117 B15R1.1409 Cc1cccnc1CC(C)NCCCO 270004a_100000182051_100011823981 [0,1,0,0,0,0|2,0,0]=3 2118 B15R1.1409 O=C(Cc1ccccc1Br)NCCCF 11a_100015189416_100000751119 [0,1,0,0,0,0|1,1,1]=4 2119 B15R1.1409 O=C(Cc1ccccc1Br)NCCCF 240690a_100015189416_100000751119 [0,1,0,0,0,0|1,1,1]=4 2120 B15R1.1409 O=C(Cc1ccccc1Br)NCCCF 527a_100015189416_100000751119 [0,1,0,0,0,0|1,1,1]=4 2121 B15R1.1409 O=C(Cc1ccccc1Br)NCCCO 240690a_100000182051_100000751119 [0,1,0,0,0,0|2,0,1]=4 2122 B15R1.1409 O=C(Cc1ccccc1Br)NCCCO 527a_100000182051_100000751119 [0,1,0,0,0,0|2,0,1]=4 2123 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCF 11a_100015189416_100000183793 [0,1,0,0,0,0|1,1,1]=4 2124 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCF 1626a_100015189416_100000183793 [0,1,0,0,0,0|1,1,1]=4 2125 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCF 240690a_100015189416_100000183793 [0,1,0,0,0,0|1,1,1]=4 2126 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCF 527a_100015189416_100000183793 [0,1,0,0,0,0|1,1,1]=4 2127 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCO 240690a_100000182051_100000183793 [0,1,0,0,0,0|2,0,1]=4 2128 B15R1.1409 O=C(Cc1ccccc1Cl)NCCCO 527a_100000182051_100000183793 [0,1,0,0,0,0|2,0,1]=4 2129 B15R1.1409 O=C(Cc1ccccc1F)NCCCF 11a_100015189416_100000212012 [0,1,0,0,0,0|1,1,1]=4 2130 B15R1.1409 O=C(Cc1ccccc1F)NCCCF 1626a_100015189416_100000212012 [0,1,0,0,0,0|1,1,1]=4 2131 B15R1.1409 O=C(Cc1ccccc1F)NCCCF 240690a_100015189416_100000212012 [0,1,0,0,0,0|1,1,1]=4 2132 B15R1.1409 O=C(Cc1ccccc1F)NCCCF 527a_100015189416_100000212012 [0,1,0,0,0,0|1,1,1]=4 2133 B15R1.1409 O=C(Cc1ccccc1F)NCCCO 240690a_100000182051_100000212012 [0,1,0,0,0,0|2,0,1]=4 2134 B15R1.1409 O=C(Cc1ccccc1F)NCCCO 527a_100000182051_100000212012 [0,1,0,0,0,0|2,0,1]=4 2135 B15R1.1409 O=C(Cc1ccccc1I)NCCCF 11a_100015189416_100000036491 [0,1,0,0,0,0|1,1,1]=4 2136 B15R1.1409 O=C(Cc1ccccc1I)NCCCF 1626a_100015189416_100000036491 [0,1,0,0,0,0|1,1,1]=4 2137 B15R1.1409 O=C(Cc1ccccc1I)NCCCF 240690a_100015189416_100000036491 [0,1,0,0,0,0|1,1,1]=4 2138 B15R1.1409 O=C(Cc1ccccc1I)NCCCF 527a_100015189416_100000036491 [0,1,0,0,0,0|1,1,1]=4 2139 B15R1.1409 O=C(Cc1ccccc1I)NCCCO 240690a_100000182051_100000036491 [0,1,0,0,0,0|2,0,1]=4 2140 B15R1.1409 O=C(Cc1ccccc1I)NCCCO 527a_100000182051_100000036491 [0,1,0,0,0,0|2,0,1]=4 2141 B15R1.1409 O=C(Cc1ccccc1O)NCCCF 240690a_100015189416_100000743006 [0,1,0,0,0,0|1,1,1]=4 2142 B15R1.1409 O=C(Cc1ccccc1O)NCCCF 527a_100015189416_100000743006 [0,1,0,0,0,0|1,1,1]=4 2143 B15R1.1409 O=C(Cc1ccccc1O)NCCCO 240690a_100000182051_100000743006 [0,1,0,0,0,0|2,0,1]=4 2144 B15R1.1409 O=C(Cc1ccccc1O)NCCCO 527a_100000182051_100000743006 [0,1,0,0,0,0|2,0,1]=4 2145 B15R1.2074 C#CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000688953 [0,1,0,0,0,0|2,0,1]=4 2146 B15R1.2074 C=CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000754431 [0,1,0,0,0,0|2,0,1]=4 2147 B15R1.2074 CC(C)(Cc1ccccc1)OCCC#N 7a_100011215222_100000184422 [0,1,0,0,0,0|2,0,1]=4 2148 B15R1.2074 CC(C)(Cc1ccccc1)OCCCF 7a_100011215222_100011934791 [0,1,0,0,0,0|1,1,0]=3 2149 B15R1.2074 CC(C)(Cc1ccccc1)OCCCO 7a_100011215222_100011215043 [0,1,0,0,0,0|2,0,0]=3 2150 B15R1.2074 CCCCNC(F)(F)Oc1ccccc1 7a_106832991798_200000057402 [0,1,0,0,0,0|3,0,0]=4 2151 B15R1.2074 CCCCNS(=O)(=O)Cc1ccccc1 270084a_100000102301_100000211737 [0,1,0,0,0,0|3,0,0]=4 2152 B15R1.2074 CCCCNS(=O)(=O)Cc1ccccc1 274078a_100000102301_100000211737 [0,1,0,0,0,0|3,0,0]=4 2153 B15R1.2074 CCCCNS(=O)(=O)Cc1ccccc1 40a_100000102301_100000235865 [0,1,0,0,0,0|3,0,0]=4 2154 B15R1.2074 CCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210211 [0,1,0,0,0,0|2,0,0]=3 2155 B15R1.2074 COCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000233755 [0,1,0,0,0,0|3,0,0]=4 2156 B15R1.2074 CSCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000212216 [0,1,0,0,0,0|3,0,0]=4 2157 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCF 270084a_100015189416_100000211737 [0,1,0,0,0,0|2,1,0]=4 2158 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCF 274078a_100015189416_100000211737 [0,1,0,0,0,0|2,1,0]=4 2159 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCF 40a_100015189416_100000235865 [0,1,0,0,0,0|2,1,0]=4 2160 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCO 270084a_100000182051_100000211737 [0,1,0,0,0,0|3,0,0]=4 2161 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCO 274078a_100000182051_100000211737 [0,1,0,0,0,0|3,0,0]=4 2162 B15R1.2074 O=S(=O)(Cc1ccccc1)NCCCO 40a_100000182051_100000235865 [0,1,0,0,0,0|3,0,0]=4 2163 B15R2.15 OCC1CCN(C1)Cc2ccccc2 2230a_100000748654_100015291786 [0,0,0,1,0,0|3,0,0]=4 2164 B15R2.15 OCC1CCN(C1)Cc2ccccc2 269982a_100000748654_100000211182 [0,0,0,1,0,0|3,0,0]=4 2165 B15R2.15 OCC1CCN(C1)Cc2ccccc2 270004a_100000748654_100015611070 [0,0,0,1,0,0|3,0,0]=4 2166 B15R2.15 OCC1CCN(C1)Cc2ccccc2 34a_100000748654_100015291786 [0,0,0,1,0,0|3,0,0]=4 2167 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 2168 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 2169 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [0,0,0,1,0,0|3,0,0]=4 2170 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 2171 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 2172 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,0,1,0,0|3,0,0]=4 2173 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 2230a_100000717927_100015291786 [0,0,0,1,0,0|3,0,0]=4 2174 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 269982a_100000717927_100000211182 [0,0,0,1,0,0|3,0,0]=4 2175 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 270004a_100000717927_100015611070 [0,0,0,1,0,0|3,0,0]=4 2176 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 34a_100000717927_100015291786 [0,0,0,1,0,0|3,0,0]=4 2177 B15R2.31 FC1CCCN(C1)Cc2ccccc2 2230a_100000697950_100015291786 [0,0,0,1,0,0|2,1,0]=4 2178 B15R2.31 FC1CCCN(C1)Cc2ccccc2 269982a_100000697950_100000211182 [0,0,0,1,0,0|2,1,0]=4 2179 B15R2.31 FC1CCCN(C1)Cc2ccccc2 270004a_100000697950_100015611070 [0,0,0,1,0,0|2,1,0]=4 2180 B15R2.31 FC1CCCN(C1)Cc2ccccc2 34a_100000697950_100015291786 [0,0,0,1,0,0|2,1,0]=4 2181 B15R2.31 OC1CCCN(C1)Cc2ccccc2 2230a_100000211013_100015291786 [0,0,0,1,0,0|3,0,0]=4 2182 B15R2.31 OC1CCCN(C1)Cc2ccccc2 269982a_100000211013_100000211182 [0,0,0,1,0,0|3,0,0]=4 2183 B15R2.31 OC1CCCN(C1)Cc2ccccc2 270004a_100000211013_100015611070 [0,0,0,1,0,0|3,0,0]=4 2184 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 2185 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 2186 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [0,0,0,1,0,0|3,0,0]=4 2187 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 2188 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 2189 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,0,1,0,0|3,0,0]=4 2190 B15R2.64 CC(C[n+]1ccccc1)N2CCCC2 270004a_100000188435_100000034229 [0,0,0,1,0,0|2,0,0]=3 2191 B15R2.64 CC(C[n+]1ccccc1)N2CCSC2 270004a_100011215254_100000034229 [0,0,0,1,0,0|3,0,0]=4 2192 B15R2.64 CC(Cc1ccccc1)N2CC=CC2 269982a_100015195280_200011218536 [0,0,0,1,0,0|1,0,2]=4 2193 B15R2.64 CC(Cc1ccccc1)N2CCCC2 269982a_100000188435_200011218536 [0,0,0,1,0,0|1,0,0]=2 2194 B15R2.64 CC(Cc1ccccc1)N2CCSC2 269982a_100011215254_200011218536 [0,0,0,1,0,0|2,0,0]=3 2195 B15R2.64 CC(Cc1cccnc1)N2CCCC2 270004a_100000188435_100015187140 [0,0,0,1,0,0|2,0,0]=3 2196 B15R2.64 CC(Cc1cccnc1)N2CCSC2 270004a_100011215254_100015187140 [0,0,0,1,0,0|3,0,0]=4 2197 B15R2.64 CC(Cc1ccncc1)N2CCCC2 270004a_100000188435_100000238508 [0,0,0,1,0,0|2,0,0]=3 2198 B15R2.64 CC(Cc1ccncc1)N2CCSC2 270004a_100011215254_100000238508 [0,0,0,1,0,0|3,0,0]=4 2199 B15R2.64 CC(Cc1cnccn1)N2CCCC2 270004a_100000188435_100015184882 [0,0,0,1,0,0|3,0,0]=4 2200 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000186898_100000179811 [0,0,0,1,0,0|3,0,0]=4 2201 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000207505_100015291786 [0,0,0,1,0,0|3,0,0]=4 2202 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000186898_100000179811 [0,0,0,1,0,0|3,0,0]=4 2203 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000207505_100000211182 [0,0,0,1,0,0|3,0,0]=4 2204 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000186898_100000210133 [0,0,0,1,0,0|3,0,0]=4 2205 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000207505_100015611070 [0,0,0,1,0,0|3,0,0]=4 2206 B15R2.64 CN(Cc1ccccc1)C2CCCC2 34a_100000207505_100015291786 [0,0,0,1,0,0|3,0,0]=4 2207 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000688953 [0,0,0,1,0,0|1,0,1]=3 2208 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000730999 [0,0,0,1,0,0|1,0,1]=3 2209 B15R2.78 C#CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000688953 [0,0,0,1,0,0|1,0,1]=3 2210 B15R2.78 C/C=C/CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100102629194 [0,0,0,1,0,0|1,0,2]=4 2211 B15R2.78 C/C=C/CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100102629194 [0,0,0,1,0,0|1,0,2]=4 2212 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 2213 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 2214 B15R2.78 C=CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000754431 [0,0,0,1,0,0|1,0,1]=3 2215 B15R2.78 CC#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000748600 [0,0,0,1,0,0|1,0,2]=4 2216 B15R2.78 CC#CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000748600 [0,0,0,1,0,0|1,0,2]=4 2217 B15R2.78 CC=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000070051 [0,0,0,1,0,0|1,0,2]=4 2218 B15R2.78 CC=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000070051 [0,0,0,1,0,0|1,0,2]=4 2219 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210211 [0,0,0,1,0,0|1,0,0]=2 2220 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210211 [0,0,0,1,0,0|1,0,0]=2 2221 B15R2.78 CCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210210 [0,0,0,1,0,0|1,0,0]=2 2222 B15R2.78 CCOCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000739092 [0,0,0,1,0,0|2,0,0]=3 2223 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011201679 [0,0,0,1,0,0|2,0,0]=3 2224 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000233755 [0,0,0,1,0,0|2,0,0]=3 2225 B15R2.78 COCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011201679 [0,0,0,1,0,0|2,0,0]=3 2226 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000751147 [0,0,0,1,0,0|2,0,0]=3 2227 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000212216 [0,0,0,1,0,0|2,0,0]=3 2228 B15R2.78 CSCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000212216 [0,0,0,1,0,0|2,0,0]=3 2229 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011934791 [0,0,0,1,0,0|0,1,0]=2 2230 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011934791 [0,0,0,1,0,0|0,1,0]=2 2231 B15R2.78 FCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011934791 [0,0,0,1,0,0|0,1,0]=2 2232 B15R2.78 N#CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215226 [0,0,0,1,0,0|1,0,1]=3 2233 B15R2.78 N#CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011215226 [0,0,0,1,0,0|1,0,1]=3 2234 B15R2.78 N#CSCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000211825 [0,0,0,1,0,0|2,0,1]=4 2235 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000230001 [0,0,0,1,0,0|1,0,0]=2 2236 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011215043 [0,0,0,1,0,0|1,0,0]=2 2237 B15R2.78 OCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000230001 [0,0,0,1,0,0|1,0,0]=2 2238 B15R2.491 CC(Cc1ccccc1)N[C@@H]2C[C@H]2F 34a_100025746932_200011218536 [0,0,0,1,0,0|0,1,0]=2 2239 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 269982a_100000755817_200011218536 [0,0,0,1,0,0|1,0,0]=2 2240 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 34a_100000755817_200011218536 [0,0,0,1,0,0|1,0,0]=2 2241 B15R2.1256 CC(COC1CC1)Cc2ccccc2 34a_100012125295_100000211595 [0,0,0,1,0,0|3,0,0]=4 2242 B15R2.1256 CC(C[n+]1ccccc1)NCC2CC2 270004a_100000735609_100000034229 [0,0,0,1,0,0|2,0,0]=3 2243 B15R2.1256 CC(Cc1ccccc1)NCC2CC2 34a_100000735609_200011218536 [0,0,0,1,0,0|1,0,0]=2 2244 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 34a_100000211283_200011218536 [0,0,0,1,0,0|2,0,0]=3 2245 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 34a_100000748627_100000742324 [0,0,0,1,0,0|2,0,0]=3 2246 B15R2.1256 CC(Cc1ccccc1)OCC2CC2 7a_100000748627_100000742324 [0,0,0,1,0,0|2,0,0]=3 2247 B15R2.1256 CC(Cc1ccccc1)OCC2CO2 34a_100000748627_102125554688 [0,0,0,1,0,0|2,0,0]=3 2248 B15R2.1256 CC(Cc1ccccc1)OCC2CO2 7a_100000748627_102125554688 [0,0,0,1,0,0|2,0,0]=3 2249 B15R2.1256 CC(Cc1ccccc1)OCC2CS2 7a_100000748627_100000031435 [0,0,0,1,0,0|2,0,0]=3 2250 B15R2.1256 CC(Cc1ccccc1)OC[C@@H]2CO2 34a_100000757423_200011218536 [0,0,0,1,0,0|2,0,0]=3 2251 B15R2.1256 CC(Cc1ccccc1)OC[C@@H]2CO2 7a_100000748627_100000745022 [0,0,0,1,0,0|2,0,0]=3 2252 B15R2.1256 CC(Cc1ccccc1)SCC2CC2 62a_100000756562_200011218536 [0,0,0,1,0,0|2,0,0]=3 2253 B15R2.1256 CC(Cc1ccccc1)SCC2CC2 62a_200011218536_100000742324 [0,0,0,1,0,0|2,0,0]=3 2254 B15R2.1256 CC(Cc1ccccc1)SCC2CO2 62a_102125554688_200011218536 [0,0,0,1,0,0|2,0,0]=3 2255 B15R2.1256 CC(Cc1ccccc1)SCC2CO2 62a_200011218536_102125554688 [0,0,0,1,0,0|2,0,0]=3 2256 B15R2.1256 CC(Cc1ccccc1)SCC2CS2 62a_100000031435_200011218536 [0,0,0,1,0,0|2,0,0]=3 2257 B15R2.1256 CC(Cc1ccccc1)SCC2CS2 62a_200011218536_100000031435 [0,0,0,1,0,0|2,0,0]=3 2258 B15R2.1256 CC(Cc1ccccc1)SC[C@@H]2CO2 62a_100000745022_200011218536 [0,0,0,1,0,0|2,0,0]=3 2259 B15R2.1256 CC(Cc1ccccc1)SC[C@@H]2CO2 62a_200011218536_100000745022 [0,0,0,1,0,0|2,0,0]=3 2260 B15R2.1256 CC(Cc1ccccn1)NCC2CC2 2230a_100000238496_100000742324 [0,0,0,1,0,0|2,0,0]=3 2261 B15R2.1256 CC(Cc1ccccn1)NCC2CC2 269862a_100000238496_100000741477 [0,0,0,1,0,0|2,0,0]=3 2262 B15R2.1256 CC(Cc1ccccn1)NCC2CO2 2230a_100000238496_100011216344 [0,0,0,1,0,0|2,0,0]=3 2263 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 2230a_100011207255_100000742324 [0,0,0,1,0,0|2,0,0]=3 2264 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 269862a_100011207255_100000741477 [0,0,0,1,0,0|2,0,0]=3 2265 B15R2.1256 CC(Cc1cccnc1)NCC2CC2 270004a_100000735609_100015187140 [0,0,0,1,0,0|2,0,0]=3 2266 B15R2.1256 CC(Cc1cccnc1)NCC2CO2 2230a_100011207255_100011216344 [0,0,0,1,0,0|2,0,0]=3 2267 B15R2.1256 CC(Cc1ccncc1)NCC2CC2 270004a_100000735609_100000238508 [0,0,0,1,0,0|2,0,0]=3 2268 B15R2.1256 CC(Cc1cnccn1)NCC2CC2 2230a_100011277835_100000742324 [0,0,0,1,0,0|3,0,0]=4 2269 B15R2.1256 CC(Cc1cnccn1)NCC2CC2 269862a_100011277835_100000741477 [0,0,0,1,0,0|3,0,0]=4 2270 B15R2.1256 CC(Cc1cnccn1)NCC2CC2 270004a_100000735609_100015184882 [0,0,0,1,0,0|3,0,0]=4 2271 B15R2.1256 CC(Cc1cnccn1)NCC2CO2 2230a_100011277835_100011216344 [0,0,0,1,0,0|3,0,0]=4 2272 B15R2.1256 CN(CCC1CC1)Cc2ccccc2 2230a_100000186898_100000694398 [0,0,0,1,0,0|3,0,0]=4 2273 B15R2.1256 CN(CCC1CC1)Cc2ccccc2 269982a_100000186898_100000694398 [0,0,0,1,0,0|3,0,0]=4 2274 B15R2.1256 CN(CCC1CO1)Cc2ccccc2 2230a_100000186898_100000732470 [0,0,0,1,0,0|3,0,0]=4 2275 B15R2.1256 CN(CCC1CO1)Cc2ccccc2 269982a_100000186898_100000732470 [0,0,0,1,0,0|3,0,0]=4 2276 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000688953 [0,0,0,1,0,0|1,0,1]=3 2277 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000688953 [0,0,0,1,0,0|1,0,1]=3 2278 B15R2.1262 C/C=C/CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100102629194 [0,0,0,1,0,0|1,0,2]=4 2279 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000754431 [0,0,0,1,0,0|1,0,1]=3 2280 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000754431 [0,0,0,1,0,0|1,0,1]=3 2281 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000748600 [0,0,0,1,0,0|1,0,2]=4 2282 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000748600 [0,0,0,1,0,0|1,0,2]=4 2283 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000070051 [0,0,0,1,0,0|1,0,2]=4 2284 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000070051 [0,0,0,1,0,0|1,0,2]=4 2285 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210211 [0,0,0,1,0,0|1,0,0]=2 2286 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210210 [0,0,0,1,0,0|1,0,0]=2 2287 B15R2.1262 CCCOCC1CC1c2ccccc2 34a_100011997005_100000210303 [0,0,0,1,0,0|3,0,0]=4 2288 B15R2.1262 CCCOCC1CC1c2ccccc2 7a_100011997005_100000210303 [0,0,0,1,0,0|3,0,0]=4 2289 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011201679 [0,0,0,1,0,0|2,0,0]=3 2290 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011201679 [0,0,0,1,0,0|2,0,0]=3 2291 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000751147 [0,0,0,1,0,0|2,0,0]=3 2292 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000212216 [0,0,0,1,0,0|2,0,0]=3 2293 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011934791 [0,0,0,1,0,0|0,1,0]=2 2294 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011934791 [0,0,0,1,0,0|0,1,0]=2 2295 B15R2.1262 FCCOCC1CC1c2ccccc2 34a_100011997005_100011217306 [0,0,0,1,0,0|2,1,0]=4 2296 B15R2.1262 FCCOCC1CC1c2ccccc2 7a_100011997005_100011217306 [0,0,0,1,0,0|2,1,0]=4 2297 B15R2.1262 N#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215226 [0,0,0,1,0,0|1,0,1]=3 2298 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000230001 [0,0,0,1,0,0|1,0,0]=2 2299 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000230001 [0,0,0,1,0,0|1,0,0]=2 2300 B15R2.1262 OCCOCC1CC1c2ccccc2 34a_100011997005_100000211926 [0,0,0,1,0,0|3,0,0]=4 2301 B15R2.1262 OCCOCC1CC1c2ccccc2 7a_100011997005_100000211926 [0,0,0,1,0,0|3,0,0]=4 2302 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 2230a_100000185865_100015291786 [0,0,0,1,0,0|3,0,0]=4 2303 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 269982a_100000185865_100000211182 [0,0,0,1,0,0|3,0,0]=4 2304 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 270004a_100000185865_100015611070 [0,0,0,1,0,0|3,0,0]=4 2305 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 34a_100000185865_100015291786 [0,0,0,1,0,0|3,0,0]=4 2306 B15R2.2167 c1ccc(cc1)NC2CCCCCC2 34a_100000106764_100011217769 [0,0,0,1,0,0|3,0,0]=4 2307 B15R2.2167 c1ccc(cc1)OC2CCCCCC2 34a_100000210340_100011217769 [0,0,0,1,0,0|3,0,0]=4 2308 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100000719477_100011217769 [0,0,0,1,0,0|3,0,0]=4 2309 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100011217769_100000041952 [0,0,0,1,0,0|3,0,0]=4 2310 B15R2.2203 BrCCCOC1Cc2ccccc2C1 34a_100011217188_100000753484 [0,0,0,1,0,0|1,1,0]=3 2311 B15R2.2203 C#CCCNC1Cc2ccccc2C1 2230a_100000753258_100000688953 [0,0,0,1,0,0|1,0,1]=3 2312 B15R2.2203 C#CCCNC1Cc2ccccc2C1 34a_100000753258_100000688953 [0,0,0,1,0,0|1,0,1]=3 2313 B15R2.2203 C#CCCNC1Cc2ccccc2C1 34a_100000755551_100000753484 [0,0,0,1,0,0|1,0,1]=3 2314 B15R2.2203 C#CCCOC1Cc2ccccc2C1 34a_100011215286_100000688953 [0,0,0,1,0,0|2,0,1]=4 2315 B15R2.2203 C#CCCOC1Cc2ccccc2C1 34a_100011215631_100000753484 [0,0,0,1,0,0|2,0,1]=4 2316 B15R2.2203 C#CCCSC1Cc2ccccc2C1 62a_100000688953_100000753484 [0,0,0,1,0,0|2,0,1]=4 2317 B15R2.2203 C/C=C/CNC1Cc2ccccc2C1 34a_100000753258_100102629194 [0,0,0,1,0,0|1,0,2]=4 2318 B15R2.2203 C=CCCNC1Cc2ccccc2C1 2230a_100000753258_100000754431 [0,0,0,1,0,0|1,0,1]=3 2319 B15R2.2203 C=CCCNC1Cc2ccccc2C1 34a_100000753258_100000754431 [0,0,0,1,0,0|1,0,1]=3 2320 B15R2.2203 C=CCCOC1Cc2ccccc2C1 34a_100011205117_100000753484 [0,0,0,1,0,0|2,0,1]=4 2321 B15R2.2203 C=CCCOC1Cc2ccccc2C1 34a_100011215286_100000754431 [0,0,0,1,0,0|2,0,1]=4 2322 B15R2.2203 C=CCCSC1Cc2ccccc2C1 62a_100000754431_100000753484 [0,0,0,1,0,0|2,0,1]=4 2323 B15R2.2203 CC#CCNC1Cc2ccccc2C1 2230a_100000753258_100000748600 [0,0,0,1,0,0|1,0,2]=4 2324 B15R2.2203 CC#CCNC1Cc2ccccc2C1 34a_100000685387_100000753484 [0,0,0,1,0,0|1,0,2]=4 2325 B15R2.2203 CC#CCNC1Cc2ccccc2C1 34a_100000753258_100000748600 [0,0,0,1,0,0|1,0,2]=4 2326 B15R2.2203 CC=CCNC1Cc2ccccc2C1 2230a_100000753258_100000070051 [0,0,0,1,0,0|1,0,2]=4 2327 B15R2.2203 CC=CCNC1Cc2ccccc2C1 34a_100000753258_100000070051 [0,0,0,1,0,0|1,0,2]=4 2328 B15R2.2203 CCCCCN1Cc2ccccc2C1 2230a_100000752595_100000210326 [0,0,0,1,0,0|3,0,0]=4 2329 B15R2.2203 CCCCCN1Cc2ccccc2C1 269982a_100000752595_100000210215 [0,0,0,1,0,0|3,0,0]=4 2330 B15R2.2203 CCCCCN1Cc2ccccc2C1 34a_100000752595_100000718602 [0,0,0,1,0,0|3,0,0]=4 2331 B15R2.2203 CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210211 [0,0,0,1,0,0|1,0,0]=2 2332 B15R2.2203 CCCCNC1Cc2ccccc2C1 34a_100000753258_100000210210 [0,0,0,1,0,0|1,0,0]=2 2333 B15R2.2203 CCCCNC1Cc2ccccc2C1 7a_106832991798_100000753484 [0,0,0,1,0,0|1,0,0]=2 2334 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100000210227_100000753484 [0,0,0,1,0,0|2,0,0]=3 2335 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100011215286_100000210210 [0,0,0,1,0,0|2,0,0]=3 2336 B15R2.2203 CCCCOC1Cc2ccccc2C1 7a_100000210227_100000753484 [0,0,0,1,0,0|2,0,0]=3 2337 B15R2.2203 CCCCSC1Cc2ccccc2C1 62a_100000210211_100000753484 [0,0,0,1,0,0|2,0,0]=3 2338 B15R2.2203 CCCNCC1Cc2ccccc2C1 2230a_100000757167_100000210303 [0,0,0,1,0,0|3,0,0]=4 2339 B15R2.2203 CCCNCC1Cc2ccccc2C1 34a_100000757167_100000210303 [0,0,0,1,0,0|3,0,0]=4 2340 B15R2.2203 CCCOCC1Cc2ccccc2C1 34a_100000720471_100000210303 [0,0,0,1,0,0|3,0,0]=4 2341 B15R2.2203 CCOCSC1Cc2ccccc2C1 62a_100000739092_100000753484 [0,0,0,1,0,0|3,0,0]=4 2342 B15R2.2203 COCCNC1Cc2ccccc2C1 2230a_100000753258_100011201679 [0,0,0,1,0,0|2,0,0]=3 2343 B15R2.2203 COCCNC1Cc2ccccc2C1 34a_100000753258_100011201679 [0,0,0,1,0,0|2,0,0]=3 2344 B15R2.2203 COCCOC1Cc2ccccc2C1 34a_100000210237_100000753484 [0,0,0,1,0,0|3,0,0]=4 2345 B15R2.2203 COCCOC1Cc2ccccc2C1 34a_100011215286_100011201679 [0,0,0,1,0,0|3,0,0]=4 2346 B15R2.2203 COCCSC1Cc2ccccc2C1 62a_100000233755_100000753484 [0,0,0,1,0,0|3,0,0]=4 2347 B15R2.2203 CSCCNC1Cc2ccccc2C1 2230a_100000753258_100000751147 [0,0,0,1,0,0|2,0,0]=3 2348 B15R2.2203 CSCCNC1Cc2ccccc2C1 34a_100000753258_100000212216 [0,0,0,1,0,0|2,0,0]=3 2349 B15R2.2203 CSCCOC1Cc2ccccc2C1 34a_100000230434_100000753484 [0,0,0,1,0,0|3,0,0]=4 2350 B15R2.2203 CSCCOC1Cc2ccccc2C1 34a_100011215286_100000212216 [0,0,0,1,0,0|3,0,0]=4 2351 B15R2.2203 CSCCOC1Cc2ccccc2C1 7a_100000230434_100000753484 [0,0,0,1,0,0|3,0,0]=4 2352 B15R2.2203 CSCCSC1Cc2ccccc2C1 62a_100000212216_100000753484 [0,0,0,1,0,0|3,0,0]=4 2353 B15R2.2203 ClCCCOC1Cc2ccccc2C1 34a_100000230001_100000753484 [0,0,0,1,0,0|1,0,0]=2 2354 B15R2.2203 FCCCCN1Cc2ccccc2C1 2230a_100000752595_100000729493 [0,0,0,1,0,0|2,1,0]=4 2355 B15R2.2203 FCCCCN1Cc2ccccc2C1 269982a_100000752595_100000729493 [0,0,0,1,0,0|2,1,0]=4 2356 B15R2.2203 FCCCCN1Cc2ccccc2C1 34a_100000752595_100000729493 [0,0,0,1,0,0|2,1,0]=4 2357 B15R2.2203 FCCCNC1Cc2ccccc2C1 2230a_100000753258_100011934791 [0,0,0,1,0,0|0,1,0]=2 2358 B15R2.2203 FCCCNC1Cc2ccccc2C1 34a_100000753258_100011934791 [0,0,0,1,0,0|0,1,0]=2 2359 B15R2.2203 FCCCNC1Cc2ccccc2C1 34a_100015189416_100000753484 [0,0,0,1,0,0|0,1,0]=2 2360 B15R2.2203 FCCCOC1Cc2ccccc2C1 34a_100000759539_100000753484 [0,0,0,1,0,0|1,1,0]=3 2361 B15R2.2203 FCCCOC1Cc2ccccc2C1 34a_100011215286_100011934791 [0,0,0,1,0,0|1,1,0]=3 2362 B15R2.2203 FCCCSC1Cc2ccccc2C1 62a_100011934791_100000753484 [0,0,0,1,0,0|1,1,0]=3 2363 B15R2.2203 FCCNCC1Cc2ccccc2C1 2230a_100000757167_100011217306 [0,0,0,1,0,0|2,1,0]=4 2364 B15R2.2203 FCCNCC1Cc2ccccc2C1 34a_100000757167_100011217306 [0,0,0,1,0,0|2,1,0]=4 2365 B15R2.2203 FCCOCC1Cc2ccccc2C1 34a_100000720471_100011217306 [0,0,0,1,0,0|2,1,0]=4 2366 B15R2.2203 N#CCCNC1Cc2ccccc2C1 2230a_100000753258_100011215226 [0,0,0,1,0,0|1,0,1]=3 2367 B15R2.2203 N#CCCSC1Cc2ccccc2C1 62a_100011215226_100000753484 [0,0,0,1,0,0|2,0,1]=4 2368 B15R2.2203 NCCCOC1Cc2ccccc2C1 34a_100000182051_100000753484 [0,0,0,1,0,0|2,0,0]=3 2369 B15R2.2203 NOCCOC1Cc2ccccc2C1 34a_100000700252_100000753484 [0,0,0,1,0,0|3,0,0]=4 2370 B15R2.2203 OCCCCN1Cc2ccccc2C1 2230a_100000752595_100000210776 [0,0,0,1,0,0|3,0,0]=4 2371 B15R2.2203 OCCCCN1Cc2ccccc2C1 269982a_100000752595_100000210776 [0,0,0,1,0,0|3,0,0]=4 2372 B15R2.2203 OCCCCN1Cc2ccccc2C1 34a_100000752595_100011216708 [0,0,0,1,0,0|3,0,0]=4 2373 B15R2.2203 OCCCNC1Cc2ccccc2C1 2230a_100000753258_100000230001 [0,0,0,1,0,0|1,0,0]=2 2374 B15R2.2203 OCCCNC1Cc2ccccc2C1 34a_100000753258_100000230001 [0,0,0,1,0,0|1,0,0]=2 2375 B15R2.2203 OCCCOC1Cc2ccccc2C1 34a_100011215286_100000230001 [0,0,0,1,0,0|2,0,0]=3 2376 B15R2.2203 OCCCSC1Cc2ccccc2C1 62a_100011215043_100000753484 [0,0,0,1,0,0|2,0,0]=3 2377 B15R2.2203 OCCNCC1Cc2ccccc2C1 2230a_100000757167_100000211926 [0,0,0,1,0,0|3,0,0]=4 2378 B15R2.2203 OCCNCC1Cc2ccccc2C1 34a_100000757167_100000211926 [0,0,0,1,0,0|3,0,0]=4 2379 B15R2.2203 OCCOCC1Cc2ccccc2C1 34a_100000720471_100000211926 [0,0,0,1,0,0|3,0,0]=4 2380 B15R2.16446 CC(C[n+]1ccccc1)NC2COC2 270004a_100016991112_100000034229 [0,0,0,1,0,0|3,0,0]=4 2381 B15R2.16446 CC(C[n+]1ccccc1)NC2CSC2 270004a_100016994217_100000034229 [0,0,0,1,0,0|3,0,0]=4 2382 B15R2.16446 CC(Cc1ccccc1)NC2CCC2 34a_100000749019_200011218536 [0,0,0,1,0,0|1,0,0]=2 2383 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748187_200011218536 [0,0,0,1,0,0|2,0,0]=3 2384 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748627_100000749161 [0,0,0,1,0,0|2,0,0]=3 2385 B15R2.16446 CC(Cc1ccccc1)OC2COC2 34a_100000748627_100009818527 [0,0,0,1,0,0|3,0,0]=4 2386 B15R2.16446 CC(Cc1ccccc1)OC2COC2 7a_100000748627_100009818527 [0,0,0,1,0,0|3,0,0]=4 2387 B15R2.16446 CC(Cc1ccccc1)OC2CSC2 7a_100000072292_200011218536 [0,0,0,1,0,0|3,0,0]=4 2388 B15R2.16446 CC(Cc1ccccc1)SC2CCC2 62a_200011218536_100000749161 [0,0,0,1,0,0|2,0,0]=3 2389 B15R2.16446 CC(Cc1ccccc1)SC2COC2 62a_200011218536_100009818527 [0,0,0,1,0,0|3,0,0]=4 2390 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 270004a_100000238496_100000241760 [0,0,0,1,0,0|2,0,0]=3 2391 B15R2.16446 CC(Cc1cccnc1)NC2CCC2 270004a_100011207255_100000241760 [0,0,0,1,0,0|2,0,0]=3 2392 B15R2.16446 CC(Cc1cccnc1)NC2COC2 270004a_100016991112_100015187140 [0,0,0,1,0,0|3,0,0]=4 2393 B15R2.16446 CC(Cc1cccnc1)NC2CSC2 270004a_100016994217_100015187140 [0,0,0,1,0,0|3,0,0]=4 2394 B15R2.16446 CC(Cc1ccncc1)NC2COC2 270004a_100016991112_100000238508 [0,0,0,1,0,0|3,0,0]=4 2395 B15R2.16446 CC(Cc1ccncc1)NC2CSC2 270004a_100016994217_100000238508 [0,0,0,1,0,0|3,0,0]=4 2396 B15R2.16446 CC(Cc1cnccn1)NC2CCC2 270004a_100011277835_100000241760 [0,0,0,1,0,0|3,0,0]=4 2397 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_100000186898_100000763275 [0,0,0,1,0,0|3,0,0]=4 2398 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_106354213860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2399 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_200000750244_100015291786 [0,0,0,1,0,0|3,0,0]=4 2400 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_100000186898_100000763275 [0,0,0,1,0,0|3,0,0]=4 2401 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_106354213860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2402 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_200000750244_100000211182 [0,0,0,1,0,0|3,0,0]=4 2403 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 270004a_200000750244_100015611070 [0,0,0,1,0,0|3,0,0]=4 2404 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_106354213860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2405 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_200000750244_100015291786 [0,0,0,1,0,0|3,0,0]=4 2406 B15R2.16446 CN(Cc1ccccc1)CC2CCO2 2230a_100000186898_100000103362 [0,0,0,1,0,0|3,0,0]=4 2407 B15R2.16446 CN(Cc1ccccc1)CC2CCO2 269982a_100000186898_100000103362 [0,0,0,1,0,0|3,0,0]=4 2408 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 2230a_106354213860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2409 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 269982a_106354213860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2410 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 34a_106354213860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2411 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,0,0,0,1,0|1,0,1]=3 2412 B13R1.24 C#CCCNC(C)c1ccccn1 2230a_100000181244_100000688953 [0,0,0,0,1,0|2,0,1]=4 2413 B13R1.24 C#CCCNC(C)c1cccnc1 2230a_100000195435_100000688953 [0,0,0,0,1,0|2,0,1]=4 2414 B13R1.24 C#CCCNC(C)c1ccncc1 2230a_100000181269_100000688953 [0,0,0,0,1,0|2,0,1]=4 2415 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,0,0,0,1,0|1,0,1]=3 2416 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,0,0,0,1,0|2,0,1]=4 2417 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,0,0,0,1,0|2,0,1]=4 2418 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,0,0,0,1,0|2,0,1]=4 2419 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,0,0,0,1,0|2,0,1]=4 2420 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,0,0,0,1,0|2,0,1]=4 2421 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,0,0,0,1,0|1,0,1]=3 2422 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,0,0,0,1,0|1,0,1]=3 2423 B13R1.24 C=CCCNC(C)c1ccccn1 2230a_100000181244_100000754431 [0,0,0,0,1,0|2,0,1]=4 2424 B13R1.24 C=CCCNC(C)c1ccccn1 269862a_100015191253_100000210467 [0,0,0,0,1,0|2,0,1]=4 2425 B13R1.24 C=CCCNC(C)c1cccnc1 2230a_100000195435_100000754431 [0,0,0,0,1,0|2,0,1]=4 2426 B13R1.24 C=CCCNC(C)c1cccnc1 269862a_100015191253_100000210468 [0,0,0,0,1,0|2,0,1]=4 2427 B13R1.24 C=CCCNC(C)c1ccncc1 2230a_100000181269_100000754431 [0,0,0,0,1,0|2,0,1]=4 2428 B13R1.24 C=CCCNC(C)c1ccncc1 269862a_100015191253_100000185792 [0,0,0,0,1,0|2,0,1]=4 2429 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,0,0,0,1,0|1,0,1]=3 2430 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,0,0,0,1,0|2,0,1]=4 2431 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,0,0,0,1,0|2,0,1]=4 2432 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,0,0,0,1,0|2,0,1]=4 2433 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,0,0,0,1,0|2,0,1]=4 2434 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,0,0,0,1,0|2,0,1]=4 2435 B13R1.24 CC#CCNC(C)c1ccccc1 2230a_100000685387_100000230085 [0,0,0,0,1,0|1,0,2]=4 2436 B13R1.24 CC#CCNC(C)c1ccccc1 34a_100000685387_100000211855 [0,0,0,0,1,0|1,0,2]=4 2437 B13R1.24 CC#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000748600 [0,0,0,0,1,0|1,0,2]=4 2438 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,0,0,0,1,0|2,1,0]=4 2439 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,0,0,0,1,0|2,1,0]=4 2440 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,0,0,0,1,0|2,1,0]=4 2441 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,0,0,0,1,0|3,0,0]=4 2442 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,0,0,0,1,0|3,0,0]=4 2443 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,0,0,0,1,0|3,0,0]=4 2444 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,0,0,0,1,0|3,0,0]=4 2445 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,0,0,0,1,0|3,0,0]=4 2446 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,0,0,0,1,0|2,1,0]=4 2447 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,0,0,0,1,0|2,1,0]=4 2448 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,0,0,0,1,0|2,1,0]=4 2449 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,0,0,0,1,0|3,0,0]=4 2450 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,0,0,0,1,0|3,0,0]=4 2451 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,0,0,0,1,0|3,0,0]=4 2452 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,0,0,0,1,0|2,1,0]=4 2453 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,0,0,0,1,0|2,1,0]=4 2454 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,0,0,0,1,0|3,0,0]=4 2455 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,0,0,0,1,0|3,0,0]=4 2456 B13R1.24 CC(NCCC#N)c1ccccn1 2230a_100000181244_100011215226 [0,0,0,0,1,0|2,0,1]=4 2457 B13R1.24 CC(NCCC#N)c1cccnc1 2230a_100000195435_100011215226 [0,0,0,0,1,0|2,0,1]=4 2458 B13R1.24 CC(NCCC#N)c1ccncc1 2230a_100000181269_100011215226 [0,0,0,0,1,0|2,0,1]=4 2459 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,0,0,0,1,0|0,1,0]=2 2460 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,0,0,0,1,0|0,1,0]=2 2461 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,0,0,0,1,0|0,1,0]=2 2462 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,0,0,0,1,0|1,1,0]=3 2463 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,0,0,0,1,0|1,1,0]=3 2464 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,0,0,0,1,0|1,1,0]=3 2465 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,0,0,0,1,0|1,1,0]=3 2466 B13R1.24 CC(NCCCF)c1cccnn1 269862a_100015189416_100009866853 [0,0,0,0,1,0|2,1,0]=4 2467 B13R1.24 CC(NCCCF)c1ccncc1 2230a_100000181269_100011934791 [0,0,0,0,1,0|1,1,0]=3 2468 B13R1.24 CC(NCCCF)c1ccncc1 269862a_100015189416_100000185792 [0,0,0,0,1,0|1,1,0]=3 2469 B13R1.24 CC(NCCCF)c1ccnnc1 269862a_100015189416_100012182992 [0,0,0,0,1,0|2,1,0]=4 2470 B13R1.24 CC(NCCCF)c1cnccn1 2230a_100015189416_200000703233 [0,0,0,0,1,0|2,1,0]=4 2471 B13R1.24 CC(NCCCF)c1cnccn1 269862a_100015189416_100000751083 [0,0,0,0,1,0|2,1,0]=4 2472 B13R1.24 CC(NCCCF)c1cncnc1 269862a_100015189416_100000757475 [0,0,0,0,1,0|2,1,0]=4 2473 B13R1.24 CC(NCCCF)c1ncccn1 2230a_100020641698_100011934791 [0,0,0,0,1,0|2,1,0]=4 2474 B13R1.24 CC(NCCCF)c1ncccn1 270004a_100015189416_100011350828 [0,0,0,0,1,0|2,1,0]=4 2475 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,0,0,0,1,0|1,0,0]=2 2476 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,0,0,0,1,0|2,0,0]=3 2477 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,0,0,0,1,0|2,0,0]=3 2478 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,0,0,0,1,0|2,0,0]=3 2479 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,0,0,0,1,0|2,0,0]=3 2480 B13R1.24 CC(NCCCO)c1cccnn1 269862a_100000182051_100009866853 [0,0,0,0,1,0|3,0,0]=4 2481 B13R1.24 CC(NCCCO)c1ccncc1 2230a_100000181269_100000230001 [0,0,0,0,1,0|2,0,0]=3 2482 B13R1.24 CC(NCCCO)c1ccncc1 269862a_100000182051_100000185792 [0,0,0,0,1,0|2,0,0]=3 2483 B13R1.24 CC(NCCCO)c1ccnnc1 269862a_100000182051_100012182992 [0,0,0,0,1,0|3,0,0]=4 2484 B13R1.24 CC(NCCCO)c1cnccn1 269862a_100000182051_100000751083 [0,0,0,0,1,0|3,0,0]=4 2485 B13R1.24 CC(NCCCO)c1cncnc1 269862a_100000182051_100000757475 [0,0,0,0,1,0|3,0,0]=4 2486 B13R1.24 CC(NCCCO)c1ncccn1 2230a_100020641698_100000230001 [0,0,0,0,1,0|3,0,0]=4 2487 B13R1.24 CC(NCCCO)c1ncccn1 270004a_100000182051_100011350828 [0,0,0,0,1,0|3,0,0]=4 2488 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,0,0,0,1,0|1,1,0]=3 2489 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,0,0,0,1,0|1,0,0]=2 2490 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,0,0,0,1,0|1,1,0]=3 2491 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,0,0,0,1,0|2,0,0]=3 2492 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,0,0,0,1,0|3,0,0]=4 2493 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,0,0,0,1,0|2,0,1]=4 2494 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,0,0,0,1,0|2,0,1]=4 2495 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,0,0,0,1,0|1,1,0]=3 2496 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,0,0,0,1,0|1,1,0]=3 2497 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,0,0,0,1,0|2,0,0]=3 2498 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,0,0,0,1,0|2,0,0]=3 2499 B13R1.24 CC=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000070051 [0,0,0,0,1,0|1,0,2]=4 2500 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,0,0,0,1,0|3,0,0]=4 2501 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,0,0,0,1,0|3,0,0]=4 2502 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,0,0,0,1,0|3,0,0]=4 2503 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,0,0,0,1,0|3,0,0]=4 2504 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,0,0,0,1,0|3,0,0]=4 2505 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,0,0,0,1,0|3,0,0]=4 2506 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,0,0,0,1,0|3,0,0]=4 2507 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,0,0,0,1,0|3,0,0]=4 2508 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,0,0,0,1,0|3,0,0]=4 2509 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,0,0,0,1,0|3,0,0]=4 2510 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,0,0,0,1,0|3,0,0]=4 2511 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,0,0,0,1,0|2,0,1]=4 2512 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,0,0,0,1,0|2,0,1]=4 2513 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,0,0,0,1,0|2,0,1]=4 2514 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,0,0,0,1,0|2,0,1]=4 2515 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,0,0,0,1,0|1,0,0]=2 2516 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,0,0,0,1,0|1,0,0]=2 2517 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,0,0,0,1,0|1,0,0]=2 2518 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,0,0,0,1,0|2,0,0]=3 2519 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,0,0,0,1,0|2,0,0]=3 2520 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,0,0,0,1,0|2,0,0]=3 2521 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,0,0,0,1,0|2,0,0]=3 2522 B13R1.24 CCCCNC(C)c1cccnn1 269862a_100000102301_100009866853 [0,0,0,0,1,0|3,0,0]=4 2523 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,0,0,0,1,0|2,0,0]=3 2524 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,0,0,0,1,0|2,0,0]=3 2525 B13R1.24 CCCCNC(C)c1ccnnc1 269862a_100000102301_100012182992 [0,0,0,0,1,0|3,0,0]=4 2526 B13R1.24 CCCCNC(C)c1cnccn1 2230a_100000102301_200000703233 [0,0,0,0,1,0|3,0,0]=4 2527 B13R1.24 CCCCNC(C)c1cnccn1 269862a_100000102301_100000751083 [0,0,0,0,1,0|3,0,0]=4 2528 B13R1.24 CCCCNC(C)c1cnccn1 7a_106832991798_200000703233 [0,0,0,0,1,0|3,0,0]=4 2529 B13R1.24 CCCCNC(C)c1cncnc1 269862a_100000102301_100000757475 [0,0,0,0,1,0|3,0,0]=4 2530 B13R1.24 CCCCNC(C)c1ncccn1 2230a_100020641698_100000210211 [0,0,0,0,1,0|3,0,0]=4 2531 B13R1.24 CCCCNC(C)c1ncccn1 270004a_100000102301_100011350828 [0,0,0,0,1,0|3,0,0]=4 2532 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,0,0,0,1,0|1,0,0]=2 2533 B13R1.24 CCCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210211 [0,0,0,0,1,0|3,0,0]=4 2534 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,0,0,0,1,0|2,0,0]=3 2535 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,0,0,0,1,0|2,0,0]=3 2536 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,0,0,0,1,0|2,0,0]=3 2537 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,0,0,0,1,0|2,0,0]=3 2538 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,0,0,0,1,0|2,0,0]=3 2539 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,0,0,0,1,0|2,0,0]=3 2540 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,0,0,0,1,0|3,0,0]=4 2541 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,0,0,0,1,0|3,0,0]=4 2542 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,0,0,0,1,0|3,0,0]=4 2543 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,0,0,0,1,0|3,0,0]=4 2544 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,0,0,0,1,0|3,0,0]=4 2545 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,0,0,0,1,0|3,0,0]=4 2546 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,0,0,0,1,0|3,0,0]=4 2547 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,0,0,0,1,0|3,0,0]=4 2548 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,0,0,0,1,0|3,0,0]=4 2549 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,0,0,0,1,0|3,0,0]=4 2550 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,0,0,0,1,0|3,0,0]=4 2551 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,0,0,0,1,0|2,1,0]=4 2552 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,0,0,0,1,0|2,1,0]=4 2553 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,0,0,0,1,0|2,1,0]=4 2554 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,0,0,0,1,0|3,0,0]=4 2555 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,0,0,0,1,0|3,0,0]=4 2556 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,0,0,0,1,0|3,0,0]=4 2557 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,0,0,0,1,0|2,0,0]=3 2558 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,0,0,0,1,0|2,0,0]=3 2559 B13R1.24 COCCNC(C)c1ccccn1 2230a_100000181244_100011201679 [0,0,0,0,1,0|3,0,0]=4 2560 B13R1.24 COCCNC(C)c1ccccn1 269862a_100000209980_100000210467 [0,0,0,0,1,0|3,0,0]=4 2561 B13R1.24 COCCNC(C)c1cccnc1 2230a_100000195435_100011201679 [0,0,0,0,1,0|3,0,0]=4 2562 B13R1.24 COCCNC(C)c1cccnc1 269862a_100000209980_100000210468 [0,0,0,0,1,0|3,0,0]=4 2563 B13R1.24 COCCNC(C)c1ccncc1 2230a_100000181269_100011201679 [0,0,0,0,1,0|3,0,0]=4 2564 B13R1.24 COCCNC(C)c1ccncc1 269862a_100000209980_100000185792 [0,0,0,0,1,0|3,0,0]=4 2565 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,0,0,0,1,0|2,0,0]=3 2566 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,0,0,0,1,0|3,0,0]=4 2567 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,0,0,0,1,0|3,0,0]=4 2568 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,0,0,0,1,0|3,0,0]=4 2569 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,0,0,0,1,0|3,0,0]=4 2570 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,0,0,0,1,0|3,0,0]=4 2571 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,0,0,0,1,0|2,0,0]=3 2572 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,0,0,0,1,0|2,0,0]=3 2573 B13R1.24 CSCCNC(C)c1ccccn1 2230a_100000181244_100000751147 [0,0,0,0,1,0|3,0,0]=4 2574 B13R1.24 CSCCNC(C)c1ccccn1 269862a_100020590264_100000210467 [0,0,0,0,1,0|3,0,0]=4 2575 B13R1.24 CSCCNC(C)c1cccnc1 2230a_100000195435_100000751147 [0,0,0,0,1,0|3,0,0]=4 2576 B13R1.24 CSCCNC(C)c1cccnc1 269862a_100020590264_100000210468 [0,0,0,0,1,0|3,0,0]=4 2577 B13R1.24 CSCCNC(C)c1ccncc1 2230a_100000181269_100000751147 [0,0,0,0,1,0|3,0,0]=4 2578 B13R1.24 CSCCNC(C)c1ccncc1 269862a_100020590264_100000185792 [0,0,0,0,1,0|3,0,0]=4 2579 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,0,0,0,1,0|2,0,0]=3 2580 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,0,0,0,1,0|3,0,0]=4 2581 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,0,0,0,1,0|3,0,0]=4 2582 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,0,0,0,1,0|3,0,0]=4 2583 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,0,0,0,1,0|3,0,0]=4 2584 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,0,0,0,1,0|3,0,0]=4 2585 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,0,0,0,1,0|3,0,0]=4 2586 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,0,0,0,1,0|1,0,1]=3 2587 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,0,0,0,1,0|0,1,0]=2 2588 B13R1.24 C[C@@H](NCCCF)c1cnccn1 2230a_100020589798_100011934791 [0,0,0,0,1,0|2,1,0]=4 2589 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,0,0,0,1,0|1,0,0]=2 2590 B13R1.24 C[C@@H](NCCCO)c1cnccn1 2230a_100020589798_100000230001 [0,0,0,0,1,0|3,0,0]=4 2591 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,0,0,0,1,0|2,0,1]=4 2592 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,0,0,0,1,0|1,1,0]=3 2593 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,0,0,0,1,0|1,1,0]=3 2594 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,0,0,0,1,0|2,0,0]=3 2595 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,0,0,0,1,0|2,0,0]=3 2596 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,0,0,0,1,0|1,1,1]=4 2597 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,0,0,0,1,0|1,1,1]=4 2598 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,0,0,0,1,0|1,1,1]=4 2599 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,0,0,0,1,0|1,1,1]=4 2600 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,0,0,0,1,0|2,0,1]=4 2601 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,0,0,0,1,0|2,0,1]=4 2602 B13R1.156 C#CCCNC(C)Cc1cccs1 2230a_100000751415_100000688953 [0,0,0,0,1,0|2,0,1]=4 2603 B13R1.156 C#CCCNC(C)Cc1ccsc1 2230a_100000743546_100000688953 [0,0,0,0,1,0|2,0,1]=4 2604 B13R1.156 C#CCCNC(C)Cc1ccsc1 34a_100000743546_100000688953 [0,0,0,0,1,0|2,0,1]=4 2605 B13R1.156 C=CCCNC(C)Cc1ccco1 270004a_100015191253_100011216958 [0,0,0,0,1,0|2,0,1]=4 2606 B13R1.156 C=CCCNC(C)Cc1cccs1 2230a_100000751415_100000754431 [0,0,0,0,1,0|2,0,1]=4 2607 B13R1.156 C=CCCNC(C)Cc1ccsc1 2230a_100000743546_100000754431 [0,0,0,0,1,0|2,0,1]=4 2608 B13R1.156 C=CCCNC(C)Cc1ccsc1 34a_100000743546_100000754431 [0,0,0,0,1,0|2,0,1]=4 2609 B13R1.156 CC(Cc1ccco1)NCCC#N 270004a_100000720768_100011216958 [0,0,0,0,1,0|2,0,1]=4 2610 B13R1.156 CC(Cc1ccco1)NCCCF 270004a_100015189416_100011216958 [0,0,0,0,1,0|1,1,0]=3 2611 B13R1.156 CC(Cc1ccco1)NCCCO 270004a_100000182051_100011216958 [0,0,0,0,1,0|2,0,0]=3 2612 B13R1.156 CC(Cc1ccco1)OCCCF 34a_100011803939_100011934791 [0,0,0,0,1,0|2,1,0]=4 2613 B13R1.156 CC(Cc1ccco1)OCCCF 7a_100011803939_100011934791 [0,0,0,0,1,0|2,1,0]=4 2614 B13R1.156 CC(Cc1ccco1)OCCCO 34a_100011803939_100000230001 [0,0,0,0,1,0|3,0,0]=4 2615 B13R1.156 CC(Cc1ccco1)OCCCO 7a_100011803939_100011215043 [0,0,0,0,1,0|3,0,0]=4 2616 B13R1.156 CC(Cc1cccs1)NCCC#N 2230a_100000751415_100011215226 [0,0,0,0,1,0|2,0,1]=4 2617 B13R1.156 CC(Cc1cccs1)NCCCF 2230a_100000751415_100011934791 [0,0,0,0,1,0|1,1,0]=3 2618 B13R1.156 CC(Cc1cccs1)NCCCO 2230a_100000751415_100000230001 [0,0,0,0,1,0|2,0,0]=3 2619 B13R1.156 CC(Cc1ccsc1)NCCC#N 2230a_100000743546_100011215226 [0,0,0,0,1,0|2,0,1]=4 2620 B13R1.156 CC(Cc1ccsc1)NCCCF 2230a_100000743546_100011934791 [0,0,0,0,1,0|1,1,0]=3 2621 B13R1.156 CC(Cc1ccsc1)NCCCF 34a_100000743546_100011934791 [0,0,0,0,1,0|1,1,0]=3 2622 B13R1.156 CC(Cc1ccsc1)NCCCO 2230a_100000743546_100000230001 [0,0,0,0,1,0|2,0,0]=3 2623 B13R1.156 CC(Cc1ccsc1)NCCCO 34a_100000743546_100000230001 [0,0,0,0,1,0|2,0,0]=3 2624 B13R1.156 CC(Cn1cccn1)NCCCF 2230a_100000738251_100011934791 [0,0,0,0,1,0|2,1,0]=4 2625 B13R1.156 CC(Cn1cccn1)NCCCO 2230a_100000738251_100000230001 [0,0,0,0,1,0|3,0,0]=4 2626 B13R1.156 CCCCNC(C)Cc1ccco1 270004a_100000102301_100011216958 [0,0,0,0,1,0|2,0,0]=3 2627 B13R1.156 CCCCNC(C)Cc1cccs1 2230a_100000751415_100000210211 [0,0,0,0,1,0|2,0,0]=3 2628 B13R1.156 CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210211 [0,0,0,0,1,0|2,0,0]=3 2629 B13R1.156 CCCCNC(C)Cc1ccsc1 34a_100000743546_100000210210 [0,0,0,0,1,0|2,0,0]=3 2630 B13R1.156 CCCCNC(C)Cn1cccn1 2230a_100000738251_100000210211 [0,0,0,0,1,0|3,0,0]=4 2631 B13R1.156 CCCCOC(C)Cc1ccco1 34a_100011803939_100000210210 [0,0,0,0,1,0|3,0,0]=4 2632 B13R1.156 CCCCOC(C)Cc1ccco1 7a_100011803939_100000210211 [0,0,0,0,1,0|3,0,0]=4 2633 B13R1.156 COCCNC(C)Cc1ccco1 270004a_100000209980_100011216958 [0,0,0,0,1,0|3,0,0]=4 2634 B13R1.156 COCCNC(C)Cc1cccs1 2230a_100000751415_100011201679 [0,0,0,0,1,0|3,0,0]=4 2635 B13R1.156 COCCNC(C)Cc1ccsc1 2230a_100000743546_100011201679 [0,0,0,0,1,0|3,0,0]=4 2636 B13R1.156 COCCNC(C)Cc1ccsc1 34a_100000743546_100011201679 [0,0,0,0,1,0|3,0,0]=4 2637 B13R1.156 CSCCNC(C)Cc1ccco1 270004a_100020590264_100011216958 [0,0,0,0,1,0|3,0,0]=4 2638 B13R1.156 CSCCNC(C)Cc1cccs1 2230a_100000751415_100000751147 [0,0,0,0,1,0|3,0,0]=4 2639 B13R1.156 CSCCNC(C)Cc1ccsc1 2230a_100000743546_100000751147 [0,0,0,0,1,0|3,0,0]=4 2640 B13R1.156 CSCCNC(C)Cc1ccsc1 34a_100000743546_100000212216 [0,0,0,0,1,0|3,0,0]=4 2641 B15R1.78 C#CCCNC(C)CCc1ccccc1 2230a_100000210798_100000688953 [0,0,0,0,0,1|1,0,1]=3 2642 B15R1.78 C#CCCNC(C)CCc1ccccc1 34a_100000210798_100000688953 [0,0,0,0,0,1|1,0,1]=3 2643 B15R1.78 C#CCCNC(C)COc1ccccc1 2230a_100000746794_100000688953 [0,0,0,0,0,1|1,0,1]=3 2644 B15R1.78 C#CCCNC(C)COc1ccccc1 34a_100000746794_100000688953 [0,0,0,0,0,1|1,0,1]=3 2645 B15R1.78 C#CCCOC(C)COc1ccccc1 34a_100000210911_100000688953 [0,0,0,0,0,1|2,0,1]=4 2646 B15R1.78 C#CCCOC(C)COc1ccccc1 7a_100000210911_100000688953 [0,0,0,0,0,1|2,0,1]=4 2647 B15R1.78 C#CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000688953 [0,0,0,0,0,1|2,0,1]=4 2648 B15R1.78 C#CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000688953 [0,0,0,0,0,1|2,0,1]=4 2649 B15R1.78 C/C=C/CNC(C)CCc1ccccc1 34a_100000210798_100102629194 [0,0,0,0,0,1|1,0,2]=4 2650 B15R1.78 C/C=C/CNC(C)COc1ccccc1 34a_100000746794_100102629194 [0,0,0,0,0,1|1,0,2]=4 2651 B15R1.78 C=CCCNC(C)CCc1ccccc1 2230a_100000210798_100000754431 [0,0,0,0,0,1|1,0,1]=3 2652 B15R1.78 C=CCCNC(C)CCc1ccccc1 270004a_100015191253_100000210092 [0,0,0,0,0,1|1,0,1]=3 2653 B15R1.78 C=CCCNC(C)CCc1ccccc1 34a_100000210798_100000754431 [0,0,0,0,0,1|1,0,1]=3 2654 B15R1.78 C=CCCNC(C)COc1ccccc1 2230a_100000746794_100000754431 [0,0,0,0,0,1|1,0,1]=3 2655 B15R1.78 C=CCCNC(C)COc1ccccc1 270004a_100015191253_100000150576 [0,0,0,0,0,1|1,0,1]=3 2656 B15R1.78 C=CCCNC(C)COc1ccccc1 34a_100000746794_100000754431 [0,0,0,0,0,1|1,0,1]=3 2657 B15R1.78 C=CCCNC(C)CSc1ccccc1 270004a_100015191253_100000150717 [0,0,0,0,0,1|1,0,1]=3 2658 B15R1.78 C=CCCOC(C)COc1ccccc1 34a_100000210911_100000754431 [0,0,0,0,0,1|2,0,1]=4 2659 B15R1.78 C=CCCOC(C)COc1ccccc1 7a_100000210911_100000754431 [0,0,0,0,0,1|2,0,1]=4 2660 B15R1.78 C=CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000754431 [0,0,0,0,0,1|2,0,1]=4 2661 B15R1.78 C=CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000754431 [0,0,0,0,0,1|2,0,1]=4 2662 B15R1.78 CC#CCNC(C)CCc1ccccc1 2230a_100000210798_100000748600 [0,0,0,0,0,1|1,0,2]=4 2663 B15R1.78 CC#CCNC(C)CCc1ccccc1 34a_100000210798_100000748600 [0,0,0,0,0,1|1,0,2]=4 2664 B15R1.78 CC#CCNC(C)COc1ccccc1 2230a_100000746794_100000748600 [0,0,0,0,0,1|1,0,2]=4 2665 B15R1.78 CC#CCNC(C)COc1ccccc1 34a_100000746794_100000748600 [0,0,0,0,0,1|1,0,2]=4 2666 B15R1.78 CC(C#Cc1ccccc1)OCCCF 34a_200000065209_100011934791 [0,0,0,0,0,1|1,1,1]=4 2667 B15R1.78 CC(C#Cc1ccccc1)OCCCF 7a_200000065209_100011934791 [0,0,0,0,0,1|1,1,1]=4 2668 B15R1.78 CC(C#Cc1ccccc1)OCCCO 34a_200000065209_100000230001 [0,0,0,0,0,1|2,0,1]=4 2669 B15R1.78 CC(C#Cc1ccccc1)OCCCO 7a_200000065209_100011215043 [0,0,0,0,0,1|2,0,1]=4 2670 B15R1.78 CC(CCCC#N)NCc1ccccc1 270004a_100015324214_200000032708 [0,0,0,0,0,1|2,0,1]=4 2671 B15R1.78 CC(CCc1ccccc1)NCCC#N 2230a_100000210798_100011215226 [0,0,0,0,0,1|1,0,1]=3 2672 B15R1.78 CC(CCc1ccccc1)NCCC#N 270004a_100000720768_100000210092 [0,0,0,0,0,1|1,0,1]=3 2673 B15R1.78 CC(CCc1ccccc1)NCCCF 2230a_100000210798_100011934791 [0,0,0,0,0,1|0,1,0]=2 2674 B15R1.78 CC(CCc1ccccc1)NCCCF 270004a_100015189416_100000210092 [0,0,0,0,0,1|0,1,0]=2 2675 B15R1.78 CC(CCc1ccccc1)NCCCF 34a_100000210798_100011934791 [0,0,0,0,0,1|0,1,0]=2 2676 B15R1.78 CC(CCc1ccccc1)NCCCO 2230a_100000210798_100000230001 [0,0,0,0,0,1|1,0,0]=2 2677 B15R1.78 CC(CCc1ccccc1)NCCCO 270004a_100000182051_100000210092 [0,0,0,0,0,1|1,0,0]=2 2678 B15R1.78 CC(CCc1ccccc1)NCCCO 34a_100000210798_100000230001 [0,0,0,0,0,1|1,0,0]=2 2679 B15R1.78 CC(COc1ccccc1)NCCC#N 2230a_100000746794_100011215226 [0,0,0,0,0,1|1,0,1]=3 2680 B15R1.78 CC(COc1ccccc1)NCCC#N 270004a_100000720768_100000150576 [0,0,0,0,0,1|1,0,1]=3 2681 B15R1.78 CC(COc1ccccc1)NCCCF 2230a_100000746794_100011934791 [0,0,0,0,0,1|0,1,0]=2 2682 B15R1.78 CC(COc1ccccc1)NCCCF 270004a_100015189416_100000150576 [0,0,0,0,0,1|0,1,0]=2 2683 B15R1.78 CC(COc1ccccc1)NCCCF 34a_100000746794_100011934791 [0,0,0,0,0,1|0,1,0]=2 2684 B15R1.78 CC(COc1ccccc1)NCCCO 2230a_100000746794_100000230001 [0,0,0,0,0,1|1,0,0]=2 2685 B15R1.78 CC(COc1ccccc1)NCCCO 270004a_100000182051_100000150576 [0,0,0,0,0,1|1,0,0]=2 2686 B15R1.78 CC(COc1ccccc1)NCCCO 34a_100000746794_100000230001 [0,0,0,0,0,1|1,0,0]=2 2687 B15R1.78 CC(COc1ccccc1)NCCO[13CH3] 34a_200009868044_200025704644 [0,0,0,0,0,1|2,0,0]=3 2688 B15R1.78 CC(COc1ccccc1)OCCC#N 7a_100000210911_100000184422 [0,0,0,0,0,1|2,0,1]=4 2689 B15R1.78 CC(COc1ccccc1)OCCCF 34a_100000210911_100011934791 [0,0,0,0,0,1|1,1,0]=3 2690 B15R1.78 CC(COc1ccccc1)OCCCF 7a_100000210911_100011934791 [0,0,0,0,0,1|1,1,0]=3 2691 B15R1.78 CC(COc1ccccc1)OCCCO 34a_100000210911_100000230001 [0,0,0,0,0,1|2,0,0]=3 2692 B15R1.78 CC(COc1ccccc1)OCCCO 7a_100000210911_100011215043 [0,0,0,0,0,1|2,0,0]=3 2693 B15R1.78 CC(CSc1ccccc1)NCCC#N 270004a_100000720768_100000150717 [0,0,0,0,0,1|1,0,1]=3 2694 B15R1.78 CC(CSc1ccccc1)NCCCF 270004a_100015189416_100000150717 [0,0,0,0,0,1|0,1,0]=2 2695 B15R1.78 CC(CSc1ccccc1)NCCCO 270004a_100000182051_100000150717 [0,0,0,0,0,1|1,0,0]=2 2696 B15R1.78 CC=CCNC(C)CCc1ccccc1 2230a_100000210798_100000070051 [0,0,0,0,0,1|1,0,2]=4 2697 B15R1.78 CC=CCNC(C)CCc1ccccc1 34a_100000210798_100000070051 [0,0,0,0,0,1|1,0,2]=4 2698 B15R1.78 CC=CCNC(C)COc1ccccc1 2230a_100000746794_100000070051 [0,0,0,0,0,1|1,0,2]=4 2699 B15R1.78 CC=CCNC(C)COc1ccccc1 34a_100000746794_100000070051 [0,0,0,0,0,1|1,0,2]=4 2700 B15R1.78 CCCCCC(C)NCc1ccccc1 207a_100000211957_100015611070 [0,0,0,0,0,1|2,0,0]=3 2701 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100000211957_100015291786 [0,0,0,0,0,1|2,0,0]=3 2702 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218191 [0,0,0,0,0,1|2,0,0]=3 2703 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100000211957_100015611070 [0,0,0,0,0,1|2,0,0]=3 2704 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100015324214_100000211708 [0,0,0,0,0,1|2,0,0]=3 2705 B15R1.78 CCCCCC(C)NCc1ccccc1 34a_100015324214_200011218191 [0,0,0,0,0,1|2,0,0]=3 2706 B15R1.78 CCCCCC(C)NCc1ccccn1 207a_100000211957_100000209966 [0,0,0,0,0,1|3,0,0]=4 2707 B15R1.78 CCCCCC(C)NCc1ccccn1 2230a_100000211957_100000721315 [0,0,0,0,0,1|3,0,0]=4 2708 B15R1.78 CCCCCC(C)NCc1ccccn1 270004a_100000210449_100000211708 [0,0,0,0,0,1|3,0,0]=4 2709 B15R1.78 CCCCCC(C)NCc1ccccn1 270004a_100000211957_100000209966 [0,0,0,0,0,1|3,0,0]=4 2710 B15R1.78 CCCCCC(C)NCc1cccnc1 207a_100000211957_100000209961 [0,0,0,0,0,1|3,0,0]=4 2711 B15R1.78 CCCCCC(C)NCc1cccnc1 2230a_100000211957_100000741622 [0,0,0,0,0,1|3,0,0]=4 2712 B15R1.78 CCCCCC(C)NCc1cccnc1 270004a_100000210453_100000211708 [0,0,0,0,0,1|3,0,0]=4 2713 B15R1.78 CCCCCC(C)NCc1cccnc1 270004a_100000211957_100000209961 [0,0,0,0,0,1|3,0,0]=4 2714 B15R1.78 CCCCCC(C)NCc1ccncc1 207a_100000211957_100000186114 [0,0,0,0,0,1|3,0,0]=4 2715 B15R1.78 CCCCCC(C)NCc1ccncc1 2230a_100000211957_100015193705 [0,0,0,0,0,1|3,0,0]=4 2716 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100000210790_200011218191 [0,0,0,0,0,1|2,0,0]=3 2717 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100011215632_100015291786 [0,0,0,0,0,1|2,0,0]=3 2718 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100000210790_200011218191 [0,0,0,0,0,1|2,0,0]=3 2719 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100011215632_100000211182 [0,0,0,0,0,1|2,0,0]=3 2720 B15R1.78 CCCCCC(C)OCc1ccccn1 34a_100011215632_100000721315 [0,0,0,0,0,1|3,0,0]=4 2721 B15R1.78 CCCCCC(C)OCc1ccccn1 7a_100011215632_100000721315 [0,0,0,0,0,1|3,0,0]=4 2722 B15R1.78 CCCCCC(C)OCc1cccnc1 34a_100011215632_100000733263 [0,0,0,0,0,1|3,0,0]=4 2723 B15R1.78 CCCCCC(C)OCc1cccnc1 7a_100011215632_100000741622 [0,0,0,0,0,1|3,0,0]=4 2724 B15R1.78 CCCCCC(C)OCc1ccncc1 7a_100011215632_100015193705 [0,0,0,0,0,1|3,0,0]=4 2725 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_100000211182_200011218191 [0,0,0,0,0,1|2,0,0]=3 2726 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_200011218191_100015291786 [0,0,0,0,0,1|2,0,0]=3 2727 B15R1.78 CCCCCC(C)SCc1ccccn1 62a_100000721315_200011218191 [0,0,0,0,0,1|3,0,0]=4 2728 B15R1.78 CCCCCC(C)SCc1ccccn1 62a_200011218191_100000721315 [0,0,0,0,0,1|3,0,0]=4 2729 B15R1.78 CCCCCC(C)SCc1cccnc1 62a_100000741622_200011218191 [0,0,0,0,0,1|3,0,0]=4 2730 B15R1.78 CCCCCC(C)SCc1cccnc1 62a_200011218191_100000741622 [0,0,0,0,0,1|3,0,0]=4 2731 B15R1.78 CCCCCC(C)SCc1ccncc1 62a_100015193705_200011218191 [0,0,0,0,0,1|3,0,0]=4 2732 B15R1.78 CCCCCC(C)SCc1ccncc1 62a_200011218191_100015193705 [0,0,0,0,0,1|3,0,0]=4 2733 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000207497_100000210326 [0,0,0,0,0,1|3,0,0]=4 2734 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000223495_100000765856 [0,0,0,0,0,1|3,0,0]=4 2735 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000207497_100000210215 [0,0,0,0,0,1|3,0,0]=4 2736 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000223495_100000765856 [0,0,0,0,0,1|3,0,0]=4 2737 B15R1.78 CCCCCN(C)CSc1ccccc1 2230a_100000223495_100011218342 [0,0,0,0,0,1|3,0,0]=4 2738 B15R1.78 CCCCCN(C)CSc1ccccc1 269982a_100000223495_100011218342 [0,0,0,0,0,1|3,0,0]=4 2739 B15R1.78 CCCCNC(=O)CCc1ccccc1 11a_100000102301_100000185753 [0,0,0,0,0,1|2,0,1]=4 2740 B15R1.78 CCCCNC(=O)CCc1ccccc1 1626a_100000102301_100000185753 [0,0,0,0,0,1|2,0,1]=4 2741 B15R1.78 CCCCNC(=O)CCc1ccccc1 240690a_100000102301_100000185753 [0,0,0,0,0,1|2,0,1]=4 2742 B15R1.78 CCCCNC(=O)CCc1ccccc1 527a_100000102301_100000185753 [0,0,0,0,0,1|2,0,1]=4 2743 B15R1.78 CCCCNC(=O)CNc1ccccc1 34a_100000106764_100000182744 [0,0,0,0,0,1|2,0,1]=4 2744 B15R1.78 CCCCNC(=O)COc1ccccc1 11a_100000102301_100000186222 [0,0,0,0,0,1|2,0,1]=4 2745 B15R1.78 CCCCNC(=O)COc1ccccc1 1626a_100000102301_100000186222 [0,0,0,0,0,1|2,0,1]=4 2746 B15R1.78 CCCCNC(=O)COc1ccccc1 240690a_100000102301_100000186222 [0,0,0,0,0,1|2,0,1]=4 2747 B15R1.78 CCCCNC(=O)COc1ccccc1 34a_100000210340_100000182744 [0,0,0,0,0,1|2,0,1]=4 2748 B15R1.78 CCCCNC(=O)COc1ccccc1 527a_100000102301_100000186222 [0,0,0,0,0,1|2,0,1]=4 2749 B15R1.78 CCCCNC(=O)COc1ccccc1 7a_100000210340_100000182744 [0,0,0,0,0,1|2,0,1]=4 2750 B15R1.78 CCCCNC(=O)CSc1ccccc1 11a_100000102301_100000211596 [0,0,0,0,0,1|2,0,1]=4 2751 B15R1.78 CCCCNC(=O)CSc1ccccc1 1626a_100000102301_100000211596 [0,0,0,0,0,1|2,0,1]=4 2752 B15R1.78 CCCCNC(=O)CSc1ccccc1 240690a_100000102301_100000211596 [0,0,0,0,0,1|2,0,1]=4 2753 B15R1.78 CCCCNC(=O)CSc1ccccc1 527a_100000102301_100000211596 [0,0,0,0,0,1|2,0,1]=4 2754 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000182744_100000041952 [0,0,0,0,0,1|2,0,1]=4 2755 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000719477_100000182744 [0,0,0,0,0,1|2,0,1]=4 2756 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100000102301_100015324214 [0,0,0,0,0,1|2,0,1]=4 2757 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000102301 [0,0,0,0,0,1|2,0,1]=4 2758 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100000102301_100015324214 [0,0,0,0,0,1|2,0,1]=4 2759 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000102301 [0,0,0,0,0,1|2,0,1]=4 2760 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100000102301_100015324214 [0,0,0,0,0,1|2,0,1]=4 2761 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100015324214_100000102301 [0,0,0,0,0,1|2,0,1]=4 2762 B15R1.78 CCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210211 [0,0,0,0,0,1|1,0,0]=2 2763 B15R1.78 CCCCNC(C)CCc1ccccc1 270004a_100000102301_100000210092 [0,0,0,0,0,1|1,0,0]=2 2764 B15R1.78 CCCCNC(C)CCc1ccccc1 34a_100000210798_100000210210 [0,0,0,0,0,1|1,0,0]=2 2765 B15R1.78 CCCCNC(C)COc1ccccc1 2230a_100000746794_100000210211 [0,0,0,0,0,1|1,0,0]=2 2766 B15R1.78 CCCCNC(C)COc1ccccc1 270004a_100000102301_100000150576 [0,0,0,0,0,1|1,0,0]=2 2767 B15R1.78 CCCCNC(C)COc1ccccc1 34a_100000746794_100000210210 [0,0,0,0,0,1|1,0,0]=2 2768 B15R1.78 CCCCNC(C)CSc1ccccc1 270004a_100000102301_100000150717 [0,0,0,0,0,1|1,0,0]=2 2769 B15R1.78 CCCCOC(C)C#Cc1ccccc1 34a_200000065209_100000210210 [0,0,0,0,0,1|2,0,1]=4 2770 B15R1.78 CCCCOC(C)C#Cc1ccccc1 7a_200000065209_100000210211 [0,0,0,0,0,1|2,0,1]=4 2771 B15R1.78 CCCCOC(C)COc1ccccc1 34a_100000210911_100000210210 [0,0,0,0,0,1|2,0,0]=3 2772 B15R1.78 CCCCOC(C)COc1ccccc1 7a_100000210911_100000210211 [0,0,0,0,0,1|2,0,0]=3 2773 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210210 [0,0,0,0,0,1|2,0,0]=3 2774 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210211 [0,0,0,0,0,1|2,0,0]=3 2775 B15R1.78 CCCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210303 [0,0,0,0,0,1|3,0,0]=4 2776 B15R1.78 CCCSCC(C)NCc1ccccc1 270004a_100015324214_100011343953 [0,0,0,0,0,1|3,0,0]=4 2777 B15R1.78 CCNCCC(C)CCc1ccccc1 269862a_100015525214_200000075208 [0,0,0,0,0,1|3,0,0]=4 2778 B15R1.78 CCOCCC(C)NCc1ccccc1 270004a_100015324214_200011216536 [0,0,0,0,0,1|3,0,0]=4 2779 B15R1.78 CN(CCCCF)CCc1ccccc1 2230a_100000207497_100000729493 [0,0,0,0,0,1|2,1,0]=4 2780 B15R1.78 CN(CCCCF)CCc1ccccc1 269982a_100000207497_100000729493 [0,0,0,0,0,1|2,1,0]=4 2781 B15R1.78 CN(CCCCO)CCc1ccccc1 2230a_100000207497_100000210776 [0,0,0,0,0,1|3,0,0]=4 2782 B15R1.78 CN(CCCCO)CCc1ccccc1 2230a_100000717598_100000765856 [0,0,0,0,0,1|3,0,0]=4 2783 B15R1.78 CN(CCCCO)CCc1ccccc1 269982a_100000207497_100000210776 [0,0,0,0,0,1|3,0,0]=4 2784 B15R1.78 CN(CCCCO)CCc1ccccc1 269982a_100000717598_100000765856 [0,0,0,0,0,1|3,0,0]=4 2785 B15R1.78 CN(CCCCO)CSc1ccccc1 2230a_100000717598_100011218342 [0,0,0,0,0,1|3,0,0]=4 2786 B15R1.78 CN(CCCCO)CSc1ccccc1 269982a_100000717598_100011218342 [0,0,0,0,0,1|3,0,0]=4 2787 B15R1.78 COCCCC(C)OCc1ccccc1 34a_200011539412_100015291786 [0,0,0,0,0,1|3,0,0]=4 2788 B15R1.78 COCCCC(C)OCc1ccccc1 7a_200011539412_100000211182 [0,0,0,0,0,1|3,0,0]=4 2789 B15R1.78 COCCNC(C)CCc1ccccc1 2230a_100000210798_100011201679 [0,0,0,0,0,1|2,0,0]=3 2790 B15R1.78 COCCNC(C)CCc1ccccc1 270004a_100000209980_100000210092 [0,0,0,0,0,1|2,0,0]=3 2791 B15R1.78 COCCNC(C)CCc1ccccc1 34a_100000210798_100011201679 [0,0,0,0,0,1|2,0,0]=3 2792 B15R1.78 COCCNC(C)COc1ccccc1 2230a_100000746794_100011201679 [0,0,0,0,0,1|2,0,0]=3 2793 B15R1.78 COCCNC(C)COc1ccccc1 270004a_100000209980_100000150576 [0,0,0,0,0,1|2,0,0]=3 2794 B15R1.78 COCCNC(C)COc1ccccc1 34a_100000746794_100011201679 [0,0,0,0,0,1|2,0,0]=3 2795 B15R1.78 COCCNC(C)COc1ccccc1 34a_200009868044_200000210301 [0,0,0,0,0,1|2,0,0]=3 2796 B15R1.78 COCCNC(C)CSc1ccccc1 270004a_100000209980_100000150717 [0,0,0,0,0,1|2,0,0]=3 2797 B15R1.78 COCCOC(C)COc1ccccc1 34a_100000210911_100011201679 [0,0,0,0,0,1|3,0,0]=4 2798 B15R1.78 COCCOC(C)COc1ccccc1 7a_100000210911_100000233755 [0,0,0,0,0,1|3,0,0]=4 2799 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011201679 [0,0,0,0,0,1|3,0,0]=4 2800 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000233755 [0,0,0,0,0,1|3,0,0]=4 2801 B15R1.78 CSCCCC(C)NCc1ccccc1 270004a_100015324214_100011399439 [0,0,0,0,0,1|3,0,0]=4 2802 B15R1.78 CSCCNC(C)CCc1ccccc1 2230a_100000210798_100000751147 [0,0,0,0,0,1|2,0,0]=3 2803 B15R1.78 CSCCNC(C)CCc1ccccc1 270004a_100020590264_100000210092 [0,0,0,0,0,1|2,0,0]=3 2804 B15R1.78 CSCCNC(C)CCc1ccccc1 34a_100000210798_100000212216 [0,0,0,0,0,1|2,0,0]=3 2805 B15R1.78 CSCCNC(C)COc1ccccc1 2230a_100000746794_100000751147 [0,0,0,0,0,1|2,0,0]=3 2806 B15R1.78 CSCCNC(C)COc1ccccc1 270004a_100020590264_100000150576 [0,0,0,0,0,1|2,0,0]=3 2807 B15R1.78 CSCCNC(C)COc1ccccc1 34a_100000746794_100000212216 [0,0,0,0,0,1|2,0,0]=3 2808 B15R1.78 CSCCNC(C)CSc1ccccc1 270004a_100020590264_100000150717 [0,0,0,0,0,1|2,0,0]=3 2809 B15R1.78 CSCCOC(C)COc1ccccc1 34a_100000210911_100000212216 [0,0,0,0,0,1|3,0,0]=4 2810 B15R1.78 CSCCOC(C)COc1ccccc1 7a_100000210911_100000212216 [0,0,0,0,0,1|3,0,0]=4 2811 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000212216 [0,0,0,0,0,1|3,0,0]=4 2812 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000212216 [0,0,0,0,0,1|3,0,0]=4 2813 B15R1.78 C[C@@H](CCc1ccccc1)OCCC#N 7a_100009815974_100000184422 [0,0,0,0,0,1|2,0,1]=4 2814 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 34a_100009815974_100011934791 [0,0,0,0,0,1|1,1,0]=3 2815 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 7a_100009815974_100011934791 [0,0,0,0,0,1|1,1,0]=3 2816 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 34a_100009815974_100000230001 [0,0,0,0,0,1|2,0,0]=3 2817 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 7a_100009815974_100011215043 [0,0,0,0,0,1|2,0,0]=3 2818 B15R1.78 C[C@H](COCCF)NCc1ccccc1 34a_100000762708_100011217306 [0,0,0,0,0,1|2,1,0]=4 2819 B15R1.78 C[C@H](COCCO)NCc1ccccc1 34a_100000762708_100000211926 [0,0,0,0,0,1|3,0,0]=4 2820 B15R1.78 O=C(CCc1ccccc1)NCCCF 11a_100015189416_100000185753 [0,0,0,0,0,1|1,1,1]=4 2821 B15R1.78 O=C(CCc1ccccc1)NCCCF 1626a_100015189416_100000185753 [0,0,0,0,0,1|1,1,1]=4 2822 B15R1.78 O=C(CCc1ccccc1)NCCCF 240690a_100015189416_100000185753 [0,0,0,0,0,1|1,1,1]=4 2823 B15R1.78 O=C(CCc1ccccc1)NCCCF 527a_100015189416_100000185753 [0,0,0,0,0,1|1,1,1]=4 2824 B15R1.78 O=C(CCc1ccccc1)NCCCO 240690a_100000182051_100000185753 [0,0,0,0,0,1|2,0,1]=4 2825 B15R1.78 O=C(CCc1ccccc1)NCCCO 527a_100000182051_100000185753 [0,0,0,0,0,1|2,0,1]=4 2826 B15R1.78 O=C(COc1ccccc1)NCCCF 11a_100015189416_100000186222 [0,0,0,0,0,1|1,1,1]=4 2827 B15R1.78 O=C(COc1ccccc1)NCCCF 1626a_100015189416_100000186222 [0,0,0,0,0,1|1,1,1]=4 2828 B15R1.78 O=C(COc1ccccc1)NCCCF 240690a_100015189416_100000186222 [0,0,0,0,0,1|1,1,1]=4 2829 B15R1.78 O=C(COc1ccccc1)NCCCF 527a_100015189416_100000186222 [0,0,0,0,0,1|1,1,1]=4 2830 B15R1.78 O=C(COc1ccccc1)NCCCO 240690a_100000182051_100000186222 [0,0,0,0,0,1|2,0,1]=4 2831 B15R1.78 O=C(COc1ccccc1)NCCCO 527a_100000182051_100000186222 [0,0,0,0,0,1|2,0,1]=4 2832 B15R1.78 O=C(CSc1ccccc1)NCCCF 11a_100015189416_100000211596 [0,0,0,0,0,1|1,1,1]=4 2833 B15R1.78 O=C(CSc1ccccc1)NCCCF 1626a_100015189416_100000211596 [0,0,0,0,0,1|1,1,1]=4 2834 B15R1.78 O=C(CSc1ccccc1)NCCCF 240690a_100015189416_100000211596 [0,0,0,0,0,1|1,1,1]=4 2835 B15R1.78 O=C(CSc1ccccc1)NCCCF 527a_100015189416_100000211596 [0,0,0,0,0,1|1,1,1]=4 2836 B15R1.78 O=C(CSc1ccccc1)NCCCO 240690a_100000182051_100000211596 [0,0,0,0,0,1|2,0,1]=4 2837 B15R1.78 O=C(CSc1ccccc1)NCCCO 527a_100000182051_100000211596 [0,0,0,0,0,1|2,0,1]=4 2838 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015189416_100015324214 [0,0,0,0,0,1|1,1,1]=4 2839 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015324214_100015189416 [0,0,0,0,0,1|1,1,1]=4 2840 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015189416_100015324214 [0,0,0,0,0,1|1,1,1]=4 2841 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015324214_100015189416 [0,0,0,0,0,1|1,1,1]=4 2842 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015189416_100015324214 [0,0,0,0,0,1|1,1,1]=4 2843 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015324214_100015189416 [0,0,0,0,0,1|1,1,1]=4 2844 B15R1.78 O=C(NCCCO)NCc1ccccc1 2708a_100015324214_100000182051 [0,0,0,0,0,1|2,0,1]=4 2845 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100000182051_100015324214 [0,0,0,0,0,1|2,0,1]=4 2846 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100015324214_100000182051 [0,0,0,0,0,1|2,0,1]=4 2847 B15R1.78 O=C(NCCCO)NCc1ccccc1 512a_100015324214_100000182051 [0,0,0,0,0,1|2,0,1]=4 2848 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [2,0,0,0,0,0|1,1,0]=4 2849 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [2,0,0,0,0,0|1,1,0]=4 2850 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [2,0,0,0,0,0|1,0,1]=4 2851 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [2,0,0,0,0,0|1,0,1]=4 2852 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [2,0,0,0,0,0|1,0,1]=4 2853 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [2,0,0,0,0,0|0,0,2]=4 2854 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [2,0,0,0,0,0|0,0,2]=4 2855 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [2,0,0,0,0,0|0,0,2]=4 2856 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [2,0,0,0,0,0|1,0,1]=4 2857 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [2,0,0,0,0,0|1,0,1]=4 2858 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2859 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [2,0,0,0,0,0|1,0,1]=4 2860 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2861 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [2,0,0,0,0,0|0,0,2]=4 2862 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [2,0,0,0,0,0|0,0,2]=4 2863 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [2,0,0,0,0,0|0,0,2]=4 2864 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [2,0,0,0,0,0|1,0,1]=4 2865 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [2,0,0,0,0,0|2,0,0]=4 2866 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [2,0,0,0,0,0|2,0,0]=4 2867 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [2,0,0,0,0,0|2,0,0]=4 2868 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [2,0,0,0,0,0|2,0,0]=4 2869 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [2,0,0,0,0,0|2,0,0]=4 2870 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [2,0,0,0,0,0|1,0,0]=3 2871 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [2,0,0,0,0,0|1,0,0]=3 2872 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [2,0,0,0,0,0|1,0,0]=3 2873 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [2,0,0,0,0,0|1,0,0]=3 2874 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [2,0,0,0,0,0|1,0,0]=3 2875 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [2,0,0,0,0,0|1,0,0]=3 2876 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [2,0,0,0,0,0|2,0,0]=4 2877 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [2,0,0,0,0,0|2,0,0]=4 2878 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [2,0,0,0,0,0|2,0,0]=4 2879 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [2,0,0,0,0,0|2,0,0]=4 2880 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [2,0,0,0,0,0|2,0,0]=4 2881 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [2,0,0,0,0,0|2,0,0]=4 2882 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [2,0,0,0,0,0|2,0,0]=4 2883 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [2,0,0,0,0,0|2,0,0]=4 2884 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [2,0,0,0,0,0|2,0,0]=4 2885 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [2,0,0,0,0,0|2,0,0]=4 2886 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [2,0,0,0,0,0|2,0,0]=4 2887 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [2,0,0,0,0,0|2,0,0]=4 2888 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [2,0,0,0,0,0|2,0,0]=4 2889 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [2,0,0,0,0,0|2,0,0]=4 2890 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [2,0,0,0,0,0|2,0,0]=4 2891 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [2,0,0,0,0,0|2,0,0]=4 2892 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [2,0,0,0,0,0|2,0,0]=4 2893 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [2,0,0,0,0,0|0,0,0]=2 2894 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [2,0,0,0,0,0|0,0,0]=2 2895 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [2,0,0,0,0,0|1,0,0]=3 2896 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [2,0,0,0,0,0|1,0,1]=4 2897 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [2,0,0,0,0,0|1,0,0]=3 2898 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [2,0,0,0,0,0|1,0,0]=3 2899 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [2,0,0,0,0,0|1,0,0]=3 2900 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [2,0,0,0,0,0|2,0,0]=4 2901 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [2,0,0,0,0,0|2,0,0]=4 2902 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [2,0,0,0,0,0|2,0,0]=4 2903 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [2,0,0,0,0,0|1,0,0]=3 2904 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [2,0,0,0,0,0|1,0,0]=3 2905 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [2,0,0,0,0,0|2,0,0]=4 2906 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [2,0,0,0,0,0|2,0,0]=4 2907 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [2,0,0,0,0,0|2,0,0]=4 2908 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [2,0,0,0,0,0|2,0,0]=4 2909 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [2,0,0,0,0,0|2,0,0]=4 2910 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [2,0,0,0,0,0|2,0,0]=4 2911 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [2,0,0,0,0,0|2,0,0]=4 2912 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [2,0,0,0,0,0|2,0,0]=4 2913 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [2,0,0,0,0,0|2,0,0]=4 2914 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [2,0,0,0,0,0|2,0,0]=4 2915 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [2,0,0,0,0,0|2,0,0]=4 2916 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [2,0,0,0,0,0|2,0,0]=4 2917 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [2,0,0,0,0,0|2,0,0]=4 2918 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [2,0,0,0,0,0|2,0,0]=4 2919 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [2,0,0,0,0,0|2,0,0]=4 2920 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [2,0,0,0,0,0|2,0,0]=4 2921 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [2,0,0,0,0,0|2,0,0]=4 2922 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [2,0,0,0,0,0|2,0,0]=4 2923 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [2,0,0,0,0,0|2,0,0]=4 2924 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [2,0,0,0,0,0|2,0,0]=4 2925 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [2,0,0,0,0,0|2,0,0]=4 2926 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [2,0,0,0,0,0|2,0,0]=4 2927 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [2,0,0,0,0,0|2,0,0]=4 2928 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [2,0,0,0,0,0|2,0,0]=4 2929 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [2,0,0,0,0,0|2,0,0]=4 2930 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [2,0,0,0,0,0|2,0,0]=4 2931 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [2,0,0,0,0,0|2,0,0]=4 2932 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [2,0,0,0,0,0|2,0,0]=4 2933 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 2934 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [2,0,0,0,0,0|2,0,0]=4 2935 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [2,0,0,0,0,0|1,0,0]=3 2936 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [2,0,0,0,0,0|2,0,0]=4 2937 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [2,0,0,0,0,0|2,0,0]=4 2938 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [2,0,0,0,0,0|2,0,0]=4 2939 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [2,0,0,0,0,0|2,0,0]=4 2940 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [2,0,0,0,0,0|2,0,0]=4 2941 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [2,0,0,0,0,0|2,0,0]=4 2942 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [2,0,0,0,0,0|2,0,0]=4 2943 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [2,0,0,0,0,0|2,0,0]=4 2944 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [2,0,0,0,0,0|2,0,0]=4 2945 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [2,0,0,0,0,0|2,0,0]=4 2946 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [2,0,0,0,0,0|1,0,0]=3 2947 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [2,0,0,0,0,0|1,0,0]=3 2948 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [2,0,0,0,0,0|2,0,0]=4 2949 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [2,0,0,0,0,0|2,0,0]=4 2950 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [2,0,0,0,0,0|2,0,0]=4 2951 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [2,0,0,0,0,0|2,0,0]=4 2952 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [2,0,0,0,0,0|1,0,0]=3 2953 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [2,0,0,0,0,0|2,0,0]=4 2954 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [2,0,0,0,0,0|2,0,0]=4 2955 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [2,0,0,0,0,0|1,1,0]=4 2956 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [2,0,0,0,0,0|1,1,0]=4 2957 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [2,0,0,0,0,0|1,1,0]=4 2958 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [2,0,0,0,0,0|1,1,0]=4 2959 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [2,0,0,0,0,0|1,1,0]=4 2960 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [2,0,0,0,0,0|0,1,0]=3 2961 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [2,0,0,0,0,0|0,1,0]=3 2962 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [2,0,0,0,0,0|0,1,0]=3 2963 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [2,0,0,0,0,0|0,1,0]=3 2964 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [2,0,0,0,0,0|0,1,0]=3 2965 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [2,0,0,0,0,0|0,1,0]=3 2966 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [2,0,0,0,0,0|1,1,0]=4 2967 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [2,0,0,0,0,0|1,1,0]=4 2968 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [2,0,0,0,0,0|1,1,0]=4 2969 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [2,0,0,0,0,0|1,1,0]=4 2970 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [2,0,0,0,0,0|1,1,0]=4 2971 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [2,0,0,0,0,0|1,1,0]=4 2972 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [2,0,0,0,0,0|1,1,0]=4 2973 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [2,0,0,0,0,0|1,1,0]=4 2974 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [2,0,0,0,0,0|1,1,0]=4 2975 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [2,0,0,0,0,0|1,1,0]=4 2976 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [2,0,0,0,0,0|1,1,0]=4 2977 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [2,0,0,0,0,0|1,1,0]=4 2978 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [2,0,0,0,0,0|1,1,0]=4 2979 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [2,0,0,0,0,0|1,1,0]=4 2980 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [2,0,0,0,0,0|1,1,0]=4 2981 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [2,0,0,0,0,0|0,1,0]=3 2982 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [2,0,0,0,0,0|0,1,0]=3 2983 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [2,0,0,0,0,0|0,1,0]=3 2984 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [2,0,0,0,0,0|1,1,0]=4 2985 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [2,0,0,0,0,0|1,1,0]=4 2986 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [2,0,0,0,0,0|1,1,0]=4 2987 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [2,0,0,0,0,0|1,1,0]=4 2988 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [2,0,0,0,0,0|1,1,0]=4 2989 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [2,0,0,0,0,0|1,1,0]=4 2990 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [2,0,0,0,0,0|1,1,0]=4 2991 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [2,0,0,0,0,0|1,1,0]=4 2992 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [2,0,0,0,0,0|1,1,0]=4 2993 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [2,0,0,0,0,0|1,1,0]=4 2994 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [2,0,0,0,0,0|1,0,1]=4 2995 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [2,0,0,0,0,0|1,0,1]=4 2996 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [2,0,0,0,0,0|1,0,1]=4 2997 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [2,0,0,0,0,0|2,0,0]=4 2998 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [2,0,0,0,0,0|2,0,0]=4 2999 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [2,0,0,0,0,0|1,0,1]=4 3000 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [2,0,0,0,0,0|1,0,1]=4 3001 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [2,0,0,0,0,0|2,0,0]=4 3002 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [2,0,0,0,0,0|2,0,0]=4 3003 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [2,0,0,0,0,0|2,0,0]=4 3004 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [2,0,0,0,0,0|2,0,0]=4 3005 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [2,0,0,0,0,0|2,0,0]=4 3006 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [2,0,0,0,0,0|1,0,0]=3 3007 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [2,0,0,0,0,0|1,0,0]=3 3008 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [2,0,0,0,0,0|1,0,0]=3 3009 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [2,0,0,0,0,0|1,0,0]=3 3010 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [2,0,0,0,0,0|2,0,0]=4 3011 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [2,0,0,0,0,0|2,0,0]=4 3012 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [2,0,0,0,0,0|2,0,0]=4 3013 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [2,0,0,0,0,0|2,0,0]=4 3014 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [2,0,0,0,0,0|2,0,0]=4 3015 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [2,0,0,0,0,0|2,0,0]=4 3016 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [2,0,0,0,0,0|2,0,0]=4 3017 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [2,0,0,0,0,0|2,0,0]=4 3018 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [2,0,0,0,0,0|2,0,0]=4 3019 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [2,0,0,0,0,0|1,0,0]=3 3020 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [2,0,0,0,0,0|1,0,0]=3 3021 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [2,0,0,0,0,0|1,0,0]=3 3022 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [2,0,0,0,0,0|1,0,0]=3 3023 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [2,0,0,0,0,0|2,0,0]=4 3024 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [2,0,0,0,0,0|2,0,0]=4 3025 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [2,0,0,0,0,0|2,0,0]=4 3026 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [2,0,0,0,0,0|2,0,0]=4 3027 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [2,0,0,0,0,0|2,0,0]=4 3028 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [2,0,0,0,0,0|2,0,0]=4 3029 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [2,0,0,0,0,0|2,0,0]=4 3030 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [2,0,0,0,0,0|2,0,0]=4 3031 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [2,0,0,0,0,0|2,0,0]=4 3032 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [2,0,0,0,0,0|2,0,0]=4 3033 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [2,0,0,0,0,0|2,0,0]=4 3034 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [2,0,0,0,0,0|2,0,0]=4 3035 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [2,0,0,0,0,0|2,0,0]=4 3036 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 3037 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [2,0,0,0,0,0|2,0,0]=4 3038 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [2,0,0,0,0,0|2,0,0]=4 3039 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [2,0,0,0,0,0|2,0,0]=4 3040 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [2,0,0,0,0,0|2,0,0]=4 3041 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [2,0,0,0,0,0|2,0,0]=4 3042 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [2,0,0,0,0,0|2,0,0]=4 3043 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [2,0,0,0,0,0|2,0,0]=4 3044 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [2,0,0,0,0,0|2,0,0]=4 3045 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [2,0,0,0,0,0|2,0,0]=4 3046 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [2,0,0,0,0,0|1,0,0]=3 3047 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [2,0,0,0,0,0|1,0,0]=3 3048 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [2,0,0,0,0,0|2,0,0]=4 3049 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [2,0,0,0,0,0|2,0,0]=4 3050 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [2,0,0,0,0,0|1,1,0]=4 3051 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [2,0,0,0,0,0|1,1,0]=4 3052 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [2,0,0,0,0,0|1,1,0]=4 3053 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [2,0,0,0,0,0|1,1,0]=4 3054 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [2,0,0,0,0,0|1,0,1]=4 3055 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [2,0,0,0,0,0|1,0,0]=3 3056 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [2,0,0,0,0,0|1,0,0]=3 3057 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [2,0,0,0,0,0|1,0,0]=3 3058 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [2,0,0,0,0,0|2,0,0]=4 3059 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [2,0,0,0,0,0|2,0,0]=4 3060 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [2,0,0,0,0,0|2,0,0]=4 3061 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [2,0,0,0,0,0|1,0,0]=3 3062 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [2,0,0,0,0,0|1,0,0]=3 3063 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [2,0,0,0,0,0|2,0,0]=4 3064 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [2,0,0,0,0,0|2,0,0]=4 3065 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [2,0,0,0,0,0|2,0,0]=4 3066 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [2,0,0,0,0,0|2,0,0]=4 3067 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [2,0,0,0,0,0|2,0,0]=4 3068 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [2,0,0,0,0,0|2,0,0]=4 3069 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [2,0,0,0,0,0|1,0,0]=3 3070 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [2,0,0,0,0,0|1,0,0]=3 3071 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [2,0,0,0,0,0|1,0,0]=3 3072 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [2,0,0,0,0,0|1,0,0]=3 3073 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [2,0,0,0,0,0|1,0,0]=3 3074 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [2,0,0,0,0,0|1,0,0]=3 3075 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [2,0,0,0,0,0|1,0,0]=3 3076 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [2,0,0,0,0,0|2,0,0]=4 3077 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [2,0,0,0,0,0|2,0,0]=4 3078 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [2,0,0,0,0,0|2,0,0]=4 3079 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [2,0,0,0,0,0|2,0,0]=4 3080 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [2,0,0,0,0,0|2,0,0]=4 3081 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [2,0,0,0,0,0|2,0,0]=4 3082 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [2,0,0,0,0,0|2,0,0]=4 3083 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [2,0,0,0,0,0|2,0,0]=4 3084 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [2,0,0,0,0,0|2,0,0]=4 3085 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [2,0,0,0,0,0|2,0,0]=4 3086 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [2,0,0,0,0,0|2,0,0]=4 3087 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [2,0,0,0,0,0|2,0,0]=4 3088 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [2,0,0,0,0,0|2,0,0]=4 3089 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [2,0,0,0,0,0|2,0,0]=4 3090 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [2,0,0,0,0,0|2,0,0]=4 3091 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [2,0,0,0,0,0|2,0,0]=4 3092 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [2,0,0,0,0,0|2,0,0]=4 3093 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [2,0,0,0,0,0|2,0,0]=4 3094 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [2,0,0,0,0,0|2,0,0]=4 3095 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [2,0,0,0,0,0|1,0,0]=3 3096 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [2,0,0,0,0,0|1,0,0]=3 3097 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [2,0,0,0,0,0|2,0,0]=4 3098 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [2,0,0,0,0,0|2,0,0]=4 3099 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [2,0,0,0,0,0|2,0,0]=4 3100 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [2,0,0,0,0,0|2,0,0]=4 3101 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [2,0,0,0,0,0|2,0,0]=4 3102 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [2,0,0,0,0,0|1,0,0]=3 3103 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [2,0,0,0,0,0|1,0,0]=3 3104 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [2,0,0,0,0,0|1,0,0]=3 3105 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [2,0,0,0,0,0|1,0,0]=3 3106 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [2,0,0,0,0,0|1,0,0]=3 3107 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [2,0,0,0,0,0|2,0,0]=4 3108 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [2,0,0,0,0,0|2,0,0]=4 3109 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [2,0,0,0,0,0|1,0,0]=3 3110 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [2,0,0,0,0,0|1,0,0]=3 3111 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [2,0,0,0,0,0|1,0,0]=3 3112 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [2,0,0,0,0,0|1,0,0]=3 3113 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [2,0,0,0,0,0|1,0,0]=3 3114 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [2,0,0,0,0,0|1,1,0]=4 3115 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [2,0,0,0,0,0|1,1,0]=4 3116 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 3117 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [2,0,0,0,0,0|2,0,0]=4 3118 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [2,0,0,0,0,0|2,0,0]=4 3119 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [2,0,0,0,0,0|2,0,0]=4 3120 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [2,0,0,0,0,0|2,0,0]=4 3121 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [2,0,0,0,0,0|2,0,0]=4 3122 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [2,0,0,0,0,0|2,0,0]=4 3123 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [2,0,0,0,0,0|2,0,0]=4 3124 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [2,0,0,0,0,0|2,0,0]=4 3125 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [2,0,0,0,0,0|2,0,0]=4 3126 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [2,0,0,0,0,0|2,0,0]=4 3127 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [2,0,0,0,0,0|2,0,0]=4 3128 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [2,0,0,0,0,0|2,0,0]=4 3129 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [2,0,0,0,0,0|1,0,0]=3 3130 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [2,0,0,0,0,0|1,0,0]=3 3131 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [2,0,0,0,0,0|2,0,0]=4 3132 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [2,0,0,0,0,0|2,0,0]=4 3133 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [2,0,0,0,0,0|2,0,0]=4 3134 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [2,0,0,0,0,0|2,0,0]=4 3135 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [2,0,0,0,0,0|2,0,0]=4 3136 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [2,0,0,0,0,0|2,0,0]=4 3137 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [2,0,0,0,0,0|2,0,0]=4 3138 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [2,0,0,0,0,0|2,0,0]=4 3139 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [2,0,0,0,0,0|2,0,0]=4 3140 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [2,0,0,0,0,0|2,0,0]=4 3141 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [2,0,0,0,0,0|2,0,0]=4 3142 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [2,0,0,0,0,0|2,0,0]=4 3143 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [2,0,0,0,0,0|2,0,0]=4 3144 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [2,0,0,0,0,0|2,0,0]=4 3145 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [2,0,0,0,0,0|2,0,0]=4 3146 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 3147 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [2,0,0,0,0,0|2,0,0]=4 3148 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [2,0,0,0,0,0|2,0,0]=4 3149 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [2,0,0,0,0,0|2,0,0]=4 3150 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [2,0,0,0,0,0|2,0,0]=4 3151 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [2,0,0,0,0,0|2,0,0]=4 3152 B14R1.14 BrCCCOCCc1ccc(cc1)Br 34a_100011217188_100011740612 [1,1,0,0,0,0|1,1,0]=4 3153 B14R1.14 C#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000688953 [1,1,0,0,0,0|1,0,1]=4 3154 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755551_100011740612 [1,1,0,0,0,0|1,0,1]=4 3155 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755846_100000688953 [1,1,0,0,0,0|1,0,1]=4 3156 B14R1.14 C#CCCNCCc1ccc(cc1)C 2230a_100000705350_100000688953 [1,1,0,0,0,0|1,0,1]=4 3157 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000705350_100000688953 [1,1,0,0,0,0|1,0,1]=4 3158 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000755551_100011713686 [1,1,0,0,0,0|1,0,1]=4 3159 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000688953 [1,1,0,0,0,0|1,0,1]=4 3160 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000688953 [1,1,0,0,0,0|1,0,1]=4 3161 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000755551_100011713675 [1,1,0,0,0,0|1,0,1]=4 3162 B14R1.14 C#CCCNCCc1ccc(cc1)F 2230a_100000199005_100000688953 [1,1,0,0,0,0|1,0,1]=4 3163 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000199005_100000688953 [1,1,0,0,0,0|1,0,1]=4 3164 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000755551_100011217392 [1,1,0,0,0,0|1,0,1]=4 3165 B14R1.14 C#CCCNCCc1ccc(cc1)O 34a_100000743037_100000688953 [1,1,0,0,0,0|1,0,1]=4 3166 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000754431 [1,1,0,0,0,0|1,0,1]=4 3167 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100015191253_100011740612 [1,1,0,0,0,0|1,0,1]=4 3168 B14R1.14 C=CCCNCCc1ccc(cc1)Br 34a_100000755846_100000754431 [1,1,0,0,0,0|1,0,1]=4 3169 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100000705350_100000754431 [1,1,0,0,0,0|1,0,1]=4 3170 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100015191253_100011713686 [1,1,0,0,0,0|1,0,1]=4 3171 B14R1.14 C=CCCNCCc1ccc(cc1)C 34a_100000705350_100000754431 [1,1,0,0,0,0|1,0,1]=4 3172 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000754431 [1,1,0,0,0,0|1,0,1]=4 3173 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100015191253_100011713675 [1,1,0,0,0,0|1,0,1]=4 3174 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000754431 [1,1,0,0,0,0|1,0,1]=4 3175 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100000199005_100000754431 [1,1,0,0,0,0|1,0,1]=4 3176 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100015191253_100011217392 [1,1,0,0,0,0|1,0,1]=4 3177 B14R1.14 C=CCCNCCc1ccc(cc1)F 34a_100000199005_100000754431 [1,1,0,0,0,0|1,0,1]=4 3178 B14R1.14 C=CCCNCCc1ccc(cc1)O 2230a_100015191253_100009816426 [1,1,0,0,0,0|1,0,1]=4 3179 B14R1.14 C=CCCNCCc1ccc(cc1)O 34a_100000743037_100000754431 [1,1,0,0,0,0|1,0,1]=4 3180 B14R1.14 CCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813667 [1,1,0,0,0,0|2,0,0]=4 3181 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000102301_100011740612 [1,1,0,0,0,0|1,0,0]=3 3182 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210211 [1,1,0,0,0,0|1,0,0]=3 3183 B14R1.14 CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210210 [1,1,0,0,0,0|1,0,0]=3 3184 B14R1.14 CCCCNCCc1ccc(cc1)Br 7a_106832991798_100011740612 [1,1,0,0,0,0|1,0,0]=3 3185 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000102301_100011713686 [1,1,0,0,0,0|1,0,0]=3 3186 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210211 [1,1,0,0,0,0|1,0,0]=3 3187 B14R1.14 CCCCNCCc1ccc(cc1)C 34a_100000705350_100000210210 [1,1,0,0,0,0|1,0,0]=3 3188 B14R1.14 CCCCNCCc1ccc(cc1)C 7a_106832991798_100011713686 [1,1,0,0,0,0|1,0,0]=3 3189 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000102301_100011713675 [1,1,0,0,0,0|1,0,0]=3 3190 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210211 [1,1,0,0,0,0|1,0,0]=3 3191 B14R1.14 CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210210 [1,1,0,0,0,0|1,0,0]=3 3192 B14R1.14 CCCCNCCc1ccc(cc1)Cl 7a_106832991798_100011713675 [1,1,0,0,0,0|1,0,0]=3 3193 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000102301_100011217392 [1,1,0,0,0,0|1,0,0]=3 3194 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210211 [1,1,0,0,0,0|1,0,0]=3 3195 B14R1.14 CCCCNCCc1ccc(cc1)F 34a_100000199005_100000210210 [1,1,0,0,0,0|1,0,0]=3 3196 B14R1.14 CCCCNCCc1ccc(cc1)F 7a_106832991798_100011217392 [1,1,0,0,0,0|1,0,0]=3 3197 B14R1.14 CCCCNCCc1ccc(cc1)O 2230a_100000102301_100009816426 [1,1,0,0,0,0|1,0,0]=3 3198 B14R1.14 CCCCNCCc1ccc(cc1)O 34a_100000743037_100000210210 [1,1,0,0,0,0|1,0,0]=3 3199 B14R1.14 CCCCNCCc1ccc(cc1)O 7a_106832991798_100009816426 [1,1,0,0,0,0|1,0,0]=3 3200 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000210227_100011740612 [1,1,0,0,0,0|2,0,0]=4 3201 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000766406_100000210210 [1,1,0,0,0,0|2,0,0]=4 3202 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000210227_100011740612 [1,1,0,0,0,0|2,0,0]=4 3203 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210211 [1,1,0,0,0,0|2,0,0]=4 3204 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000210227_100011713686 [1,1,0,0,0,0|2,0,0]=4 3205 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000756670_100000210210 [1,1,0,0,0,0|2,0,0]=4 3206 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000210227_100011713686 [1,1,0,0,0,0|2,0,0]=4 3207 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000756670_100000210211 [1,1,0,0,0,0|2,0,0]=4 3208 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100000210227_100011713675 [1,1,0,0,0,0|2,0,0]=4 3209 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210210 [1,1,0,0,0,0|2,0,0]=4 3210 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100000210227_100011713675 [1,1,0,0,0,0|2,0,0]=4 3211 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210211 [1,1,0,0,0,0|2,0,0]=4 3212 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000210227_100011217392 [1,1,0,0,0,0|2,0,0]=4 3213 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000754732_100000210210 [1,1,0,0,0,0|2,0,0]=4 3214 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000210227_100011217392 [1,1,0,0,0,0|2,0,0]=4 3215 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000754732_100000210211 [1,1,0,0,0,0|2,0,0]=4 3216 B14R1.14 CCCCOCCc1ccc(cc1)I 34a_100012291149_100000210210 [1,1,0,0,0,0|2,0,0]=4 3217 B14R1.14 CCCCOCCc1ccc(cc1)I 7a_100012291149_100000210211 [1,1,0,0,0,0|2,0,0]=4 3218 B14R1.14 CCCCOCCc1ccc(cc1)N 34a_100011204434_100000210210 [1,1,0,0,0,0|2,0,0]=4 3219 B14R1.14 CCCCOCCc1ccc(cc1)O 7a_100000210227_100009816426 [1,1,0,0,0,0|2,0,0]=4 3220 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100000210211_100011740612 [1,1,0,0,0,0|2,0,0]=4 3221 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210210 [1,1,0,0,0,0|2,0,0]=4 3222 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100000210211_100011713686 [1,1,0,0,0,0|2,0,0]=4 3223 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100011713686_100000210210 [1,1,0,0,0,0|2,0,0]=4 3224 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100000210211_100011713675 [1,1,0,0,0,0|2,0,0]=4 3225 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210210 [1,1,0,0,0,0|2,0,0]=4 3226 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100000210211_100011217392 [1,1,0,0,0,0|2,0,0]=4 3227 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100011217392_100000210210 [1,1,0,0,0,0|2,0,0]=4 3228 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100000210211_100009816426 [1,1,0,0,0,0|2,0,0]=4 3229 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100009816426_100000210210 [1,1,0,0,0,0|2,0,0]=4 3230 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000209980_100011740612 [1,1,0,0,0,0|2,0,0]=4 3231 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000755846_100011201679 [1,1,0,0,0,0|2,0,0]=4 3232 B14R1.14 COCCNCCc1ccc(cc1)Br 34a_100000755846_100011201679 [1,1,0,0,0,0|2,0,0]=4 3233 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000209980_100011713686 [1,1,0,0,0,0|2,0,0]=4 3234 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000705350_100011201679 [1,1,0,0,0,0|2,0,0]=4 3235 B14R1.14 COCCNCCc1ccc(cc1)C 34a_100000705350_100011201679 [1,1,0,0,0,0|2,0,0]=4 3236 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011201679 [1,1,0,0,0,0|2,0,0]=4 3237 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000209980_100011713675 [1,1,0,0,0,0|2,0,0]=4 3238 B14R1.14 COCCNCCc1ccc(cc1)Cl 34a_100000185265_100011201679 [1,1,0,0,0,0|2,0,0]=4 3239 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000199005_100011201679 [1,1,0,0,0,0|2,0,0]=4 3240 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000209980_100011217392 [1,1,0,0,0,0|2,0,0]=4 3241 B14R1.14 COCCNCCc1ccc(cc1)F 34a_100000199005_100011201679 [1,1,0,0,0,0|2,0,0]=4 3242 B14R1.14 COCCNCCc1ccc(cc1)O 2230a_100000209980_100009816426 [1,1,0,0,0,0|2,0,0]=4 3243 B14R1.14 COCCNCCc1ccc(cc1)O 34a_100000743037_100011201679 [1,1,0,0,0,0|2,0,0]=4 3244 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100000755846_100000751147 [1,1,0,0,0,0|2,0,0]=4 3245 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100020590264_100011740612 [1,1,0,0,0,0|2,0,0]=4 3246 B14R1.14 CSCCNCCc1ccc(cc1)Br 34a_100000755846_100000212216 [1,1,0,0,0,0|2,0,0]=4 3247 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100000705350_100000751147 [1,1,0,0,0,0|2,0,0]=4 3248 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100020590264_100011713686 [1,1,0,0,0,0|2,0,0]=4 3249 B14R1.14 CSCCNCCc1ccc(cc1)C 34a_100000705350_100000212216 [1,1,0,0,0,0|2,0,0]=4 3250 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000751147 [1,1,0,0,0,0|2,0,0]=4 3251 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100020590264_100011713675 [1,1,0,0,0,0|2,0,0]=4 3252 B14R1.14 CSCCNCCc1ccc(cc1)Cl 34a_100000185265_100000212216 [1,1,0,0,0,0|2,0,0]=4 3253 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100000199005_100000751147 [1,1,0,0,0,0|2,0,0]=4 3254 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100020590264_100011217392 [1,1,0,0,0,0|2,0,0]=4 3255 B14R1.14 CSCCNCCc1ccc(cc1)F 34a_100000199005_100000212216 [1,1,0,0,0,0|2,0,0]=4 3256 B14R1.14 CSCCNCCc1ccc(cc1)O 2230a_100020590264_100009816426 [1,1,0,0,0,0|2,0,0]=4 3257 B14R1.14 CSCCNCCc1ccc(cc1)O 34a_100000743037_100000212216 [1,1,0,0,0,0|2,0,0]=4 3258 B14R1.14 Cc1ccc(cc1)CCNCCC#N 2230a_100000705350_100011215226 [1,1,0,0,0,0|1,0,1]=4 3259 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100000705350_100011934791 [1,1,0,0,0,0|0,1,0]=3 3260 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100011713686 [1,1,0,0,0,0|0,1,0]=3 3261 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100000705350_100011934791 [1,1,0,0,0,0|0,1,0]=3 3262 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100015189416_100011713686 [1,1,0,0,0,0|0,1,0]=3 3263 B14R1.14 Cc1ccc(cc1)CCNCCCO 2230a_100000705350_100000230001 [1,1,0,0,0,0|1,0,0]=3 3264 B14R1.14 Cc1ccc(cc1)CCNCCCO 34a_100000705350_100000230001 [1,1,0,0,0,0|1,0,0]=3 3265 B14R1.14 Cc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713686 [1,1,0,0,0,0|1,1,0]=4 3266 B14R1.14 Cc1ccc(cc1)CCOCCCCl 34a_100000230001_100011713686 [1,1,0,0,0,0|1,0,0]=3 3267 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000756670_100011934791 [1,1,0,0,0,0|1,1,0]=4 3268 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000759539_100011713686 [1,1,0,0,0,0|1,1,0]=4 3269 B14R1.14 Cc1ccc(cc1)CCOCCCF 7a_100000756670_100011934791 [1,1,0,0,0,0|1,1,0]=4 3270 B14R1.14 Cc1ccc(cc1)CCOCCCN 34a_100000182051_100011713686 [1,1,0,0,0,0|2,0,0]=4 3271 B14R1.14 Cc1ccc(cc1)CCOCCCO 34a_100000756670_100000230001 [1,1,0,0,0,0|2,0,0]=4 3272 B14R1.14 Cc1ccc(cc1)CCOCCCO 7a_100000756670_100011215043 [1,1,0,0,0,0|2,0,0]=4 3273 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011713686_100011934791 [1,1,0,0,0,0|1,1,0]=4 3274 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011934791_100011713686 [1,1,0,0,0,0|1,1,0]=4 3275 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011215043_100011713686 [1,1,0,0,0,0|2,0,0]=4 3276 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011713686_100011215043 [1,1,0,0,0,0|2,0,0]=4 3277 B14R1.14 Cc1ccc(cc1)COCCCCCl 34a_100000210776_100000210814 [1,1,0,0,0,0|2,0,0]=4 3278 B14R1.14 Cc1ccc(cc1)COCCCCCl 7a_100000210776_100000210814 [1,1,0,0,0,0|2,0,0]=4 3279 B14R1.14 ClCCCCOCc1ccc(cc1)Br 34a_100000210776_100000189115 [1,1,0,0,0,0|2,0,0]=4 3280 B14R1.14 ClCCCCOCc1ccc(cc1)Br 7a_100000210776_100011217064 [1,1,0,0,0,0|2,0,0]=4 3281 B14R1.14 ClCCCCOCc1ccc(cc1)Cl 34a_100000210776_100000694040 [1,1,0,0,0,0|2,0,0]=4 3282 B14R1.14 ClCCCCOCc1ccc(cc1)Cl 7a_100000210776_100000187161 [1,1,0,0,0,0|2,0,0]=4 3283 B14R1.14 ClCCCCOCc1ccc(cc1)I 34a_100000210776_100000189116 [1,1,0,0,0,0|2,0,0]=4 3284 B14R1.14 ClCCCCOCc1ccc(cc1)I 7a_100000210776_100000189116 [1,1,0,0,0,0|2,0,0]=4 3285 B14R1.14 ClCCCOCCc1ccc(cc1)Br 34a_100000230001_100011740612 [1,1,0,0,0,0|1,0,0]=3 3286 B14R1.14 ClCCCOCCc1ccc(cc1)Cl 34a_100000230001_100011713675 [1,1,0,0,0,0|1,0,0]=3 3287 B14R1.14 Clc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713675 [1,1,0,0,0,0|1,1,0]=4 3288 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100000755846_100011934791 [1,1,0,0,0,0|0,1,0]=3 3289 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100015189416_100011740612 [1,1,0,0,0,0|0,1,0]=3 3290 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100000755846_100011934791 [1,1,0,0,0,0|0,1,0]=3 3291 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100015189416_100011740612 [1,1,0,0,0,0|0,1,0]=3 3292 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011934791 [1,1,0,0,0,0|0,1,0]=3 3293 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100015189416_100011713675 [1,1,0,0,0,0|0,1,0]=3 3294 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100000185265_100011934791 [1,1,0,0,0,0|0,1,0]=3 3295 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100015189416_100011713675 [1,1,0,0,0,0|0,1,0]=3 3296 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100000199005_100011934791 [1,1,0,0,0,0|0,1,0]=3 3297 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100015189416_100011217392 [1,1,0,0,0,0|0,1,0]=3 3298 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100000199005_100011934791 [1,1,0,0,0,0|0,1,0]=3 3299 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100015189416_100011217392 [1,1,0,0,0,0|0,1,0]=3 3300 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000759539_100011740612 [1,1,0,0,0,0|1,1,0]=4 3301 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000766406_100011934791 [1,1,0,0,0,0|1,1,0]=4 3302 B14R1.14 FCCCOCCc1ccc(cc1)Br 7a_100000766406_100011934791 [1,1,0,0,0,0|1,1,0]=4 3303 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100000759539_100011713675 [1,1,0,0,0,0|1,1,0]=4 3304 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100011219627_100011934791 [1,1,0,0,0,0|1,1,0]=4 3305 B14R1.14 FCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011934791 [1,1,0,0,0,0|1,1,0]=4 3306 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000754732_100011934791 [1,1,0,0,0,0|1,1,0]=4 3307 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000759539_100011217392 [1,1,0,0,0,0|1,1,0]=4 3308 B14R1.14 FCCCOCCc1ccc(cc1)F 7a_100000754732_100011934791 [1,1,0,0,0,0|1,1,0]=4 3309 B14R1.14 FCCCOCCc1ccc(cc1)I 34a_100012291149_100011934791 [1,1,0,0,0,0|1,1,0]=4 3310 B14R1.14 FCCCOCCc1ccc(cc1)I 7a_100012291149_100011934791 [1,1,0,0,0,0|1,1,0]=4 3311 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011740612_100011934791 [1,1,0,0,0,0|1,1,0]=4 3312 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011934791_100011740612 [1,1,0,0,0,0|1,1,0]=4 3313 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011934791 [1,1,0,0,0,0|1,1,0]=4 3314 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011934791_100011713675 [1,1,0,0,0,0|1,1,0]=4 3315 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011217392_100011934791 [1,1,0,0,0,0|1,1,0]=4 3316 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011934791_100011217392 [1,1,0,0,0,0|1,1,0]=4 3317 B14R1.14 Fc1ccc(cc1)CCOCCCBr 34a_100011217188_100011217392 [1,1,0,0,0,0|1,1,0]=4 3318 B14R1.14 Fc1ccc(cc1)CCOCCCCl 34a_100000230001_100011217392 [1,1,0,0,0,0|1,0,0]=3 3319 B14R1.14 Fc1ccc(cc1)COCCCCCl 34a_100000210776_100000198546 [1,1,0,0,0,0|2,0,0]=4 3320 B14R1.14 Fc1ccc(cc1)COCCCCCl 7a_100000210776_100000198546 [1,1,0,0,0,0|2,0,0]=4 3321 B14R1.14 N#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100011215226 [1,1,0,0,0,0|1,0,1]=4 3322 B14R1.14 N#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215226 [1,1,0,0,0,0|1,0,1]=4 3323 B14R1.14 N#CCCNCCc1ccc(cc1)F 2230a_100000199005_100011215226 [1,1,0,0,0,0|1,0,1]=4 3324 B14R1.14 NCCCOCCc1ccc(cc1)Br 34a_100000182051_100011740612 [1,1,0,0,0,0|2,0,0]=4 3325 B14R1.14 NCCCOCCc1ccc(cc1)Cl 34a_100000182051_100011713675 [1,1,0,0,0,0|2,0,0]=4 3326 B14R1.14 NCCCOCCc1ccc(cc1)F 34a_100000182051_100011217392 [1,1,0,0,0,0|2,0,0]=4 3327 B14R1.14 Nc1ccc(cc1)CCOCCCF 34a_100011204434_100011934791 [1,1,0,0,0,0|1,1,0]=4 3328 B14R1.14 Nc1ccc(cc1)CCOCCCO 34a_100011204434_100000230001 [1,1,0,0,0,0|2,0,0]=4 3329 B14R1.14 OCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000230001 [1,1,0,0,0,0|1,0,0]=3 3330 B14R1.14 OCCCNCCc1ccc(cc1)Br 34a_100000755846_100000230001 [1,1,0,0,0,0|1,0,0]=3 3331 B14R1.14 OCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000230001 [1,1,0,0,0,0|1,0,0]=3 3332 B14R1.14 OCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000230001 [1,1,0,0,0,0|1,0,0]=3 3333 B14R1.14 OCCCNCCc1ccc(cc1)F 2230a_100000199005_100000230001 [1,1,0,0,0,0|1,0,0]=3 3334 B14R1.14 OCCCNCCc1ccc(cc1)F 34a_100000199005_100000230001 [1,1,0,0,0,0|1,0,0]=3 3335 B14R1.14 OCCCNCCc1ccc(cc1)O 34a_100000743037_100000230001 [1,1,0,0,0,0|1,0,0]=3 3336 B14R1.14 OCCCOCCc1ccc(cc1)Br 34a_100000766406_100000230001 [1,1,0,0,0,0|2,0,0]=4 3337 B14R1.14 OCCCOCCc1ccc(cc1)Br 7a_100000766406_100011215043 [1,1,0,0,0,0|2,0,0]=4 3338 B14R1.14 OCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000230001 [1,1,0,0,0,0|2,0,0]=4 3339 B14R1.14 OCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011215043 [1,1,0,0,0,0|2,0,0]=4 3340 B14R1.14 OCCCOCCc1ccc(cc1)F 34a_100000754732_100000230001 [1,1,0,0,0,0|2,0,0]=4 3341 B14R1.14 OCCCOCCc1ccc(cc1)F 7a_100000754732_100011215043 [1,1,0,0,0,0|2,0,0]=4 3342 B14R1.14 OCCCOCCc1ccc(cc1)I 34a_100012291149_100000230001 [1,1,0,0,0,0|2,0,0]=4 3343 B14R1.14 OCCCOCCc1ccc(cc1)I 7a_100012291149_100011215043 [1,1,0,0,0,0|2,0,0]=4 3344 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011215043_100011740612 [1,1,0,0,0,0|2,0,0]=4 3345 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011740612_100011215043 [1,1,0,0,0,0|2,0,0]=4 3346 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011215043_100011713675 [1,1,0,0,0,0|2,0,0]=4 3347 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215043 [1,1,0,0,0,0|2,0,0]=4 3348 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011215043_100011217392 [1,1,0,0,0,0|2,0,0]=4 3349 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011217392_100011215043 [1,1,0,0,0,0|2,0,0]=4 3350 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100009816426_100011215043 [1,1,0,0,0,0|2,0,0]=4 3351 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100011215043_100009816426 [1,1,0,0,0,0|2,0,0]=4 3352 B14R1.14 Oc1ccc(cc1)CCNCCCF 2230a_100015189416_100009816426 [1,1,0,0,0,0|0,1,0]=3 3353 B14R1.14 Oc1ccc(cc1)CCNCCCF 34a_100000743037_100011934791 [1,1,0,0,0,0|0,1,0]=3 3354 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100009816426_100011934791 [1,1,0,0,0,0|1,1,0]=4 3355 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100011934791_100009816426 [1,1,0,0,0,0|1,1,0]=4 3356 B14R1.26 BrCCCOCCc1cccc(c1)Br 34a_100011217188_100011740638 [1,1,0,0,0,0|1,1,0]=4 3357 B14R1.26 C#CCCNCCc1cccc(c1)Br 2230a_100011207229_100000688953 [1,1,0,0,0,0|1,0,1]=4 3358 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100000755551_100011740638 [1,1,0,0,0,0|1,0,1]=4 3359 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100011207229_100000688953 [1,1,0,0,0,0|1,0,1]=4 3360 B14R1.26 C#CCCNCCc1cccc(c1)C 2230a_100000749837_100000688953 [1,1,0,0,0,0|1,0,1]=4 3361 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000749837_100000688953 [1,1,0,0,0,0|1,0,1]=4 3362 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000755551_100011713685 [1,1,0,0,0,0|1,0,1]=4 3363 B14R1.26 C#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000688953 [1,1,0,0,0,0|1,0,1]=4 3364 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000185263_100000688953 [1,1,0,0,0,0|1,0,1]=4 3365 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000755551_100011713710 [1,1,0,0,0,0|1,0,1]=4 3366 B14R1.26 C#CCCNCCc1cccc(c1)F 2230a_100000205154_100000688953 [1,1,0,0,0,0|1,0,1]=4 3367 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000205154_100000688953 [1,1,0,0,0,0|1,0,1]=4 3368 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000755551_100011217235 [1,1,0,0,0,0|1,0,1]=4 3369 B14R1.26 C#CCCNCCc1cccc(c1)O 2230a_100000747277_100000688953 [1,1,0,0,0,0|1,0,1]=4 3370 B14R1.26 C#CCCNCCc1cccc(c1)O 34a_100000747277_100000688953 [1,1,0,0,0,0|1,0,1]=4 3371 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100011207229_100000754431 [1,1,0,0,0,0|1,0,1]=4 3372 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100015191253_100011740638 [1,1,0,0,0,0|1,0,1]=4 3373 B14R1.26 C=CCCNCCc1cccc(c1)Br 34a_100011207229_100000754431 [1,1,0,0,0,0|1,0,1]=4 3374 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100000749837_100000754431 [1,1,0,0,0,0|1,0,1]=4 3375 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100015191253_100011713685 [1,1,0,0,0,0|1,0,1]=4 3376 B14R1.26 C=CCCNCCc1cccc(c1)C 34a_100000749837_100000754431 [1,1,0,0,0,0|1,0,1]=4 3377 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000754431 [1,1,0,0,0,0|1,0,1]=4 3378 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100015191253_100011713710 [1,1,0,0,0,0|1,0,1]=4 3379 B14R1.26 C=CCCNCCc1cccc(c1)Cl 34a_100000185263_100000754431 [1,1,0,0,0,0|1,0,1]=4 3380 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100000205154_100000754431 [1,1,0,0,0,0|1,0,1]=4 3381 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100015191253_100011217235 [1,1,0,0,0,0|1,0,1]=4 3382 B14R1.26 C=CCCNCCc1cccc(c1)F 34a_100000205154_100000754431 [1,1,0,0,0,0|1,0,1]=4 3383 B14R1.26 C=CCCNCCc1cccc(c1)O 2230a_100000747277_100000754431 [1,1,0,0,0,0|1,0,1]=4 3384 B14R1.26 C=CCCNCCc1cccc(c1)O 34a_100000747277_100000754431 [1,1,0,0,0,0|1,0,1]=4 3385 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100000102301_100011740638 [1,1,0,0,0,0|1,0,0]=3 3386 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210211 [1,1,0,0,0,0|1,0,0]=3 3387 B14R1.26 CCCCNCCc1cccc(c1)Br 34a_100011207229_100000210210 [1,1,0,0,0,0|1,0,0]=3 3388 B14R1.26 CCCCNCCc1cccc(c1)Br 7a_106832991798_100011740638 [1,1,0,0,0,0|1,0,0]=3 3389 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000102301_100011713685 [1,1,0,0,0,0|1,0,0]=3 3390 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000749837_100000210211 [1,1,0,0,0,0|1,0,0]=3 3391 B14R1.26 CCCCNCCc1cccc(c1)C 34a_100000749837_100000210210 [1,1,0,0,0,0|1,0,0]=3 3392 B14R1.26 CCCCNCCc1cccc(c1)C 7a_106832991798_100011713685 [1,1,0,0,0,0|1,0,0]=3 3393 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000102301_100011713710 [1,1,0,0,0,0|1,0,0]=3 3394 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210211 [1,1,0,0,0,0|1,0,0]=3 3395 B14R1.26 CCCCNCCc1cccc(c1)Cl 34a_100000185263_100000210210 [1,1,0,0,0,0|1,0,0]=3 3396 B14R1.26 CCCCNCCc1cccc(c1)Cl 7a_106832991798_100011713710 [1,1,0,0,0,0|1,0,0]=3 3397 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000102301_100011217235 [1,1,0,0,0,0|1,0,0]=3 3398 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000205154_100000210211 [1,1,0,0,0,0|1,0,0]=3 3399 B14R1.26 CCCCNCCc1cccc(c1)F 34a_100000205154_100000210210 [1,1,0,0,0,0|1,0,0]=3 3400 B14R1.26 CCCCNCCc1cccc(c1)F 7a_106832991798_100011217235 [1,1,0,0,0,0|1,0,0]=3 3401 B14R1.26 CCCCNCCc1cccc(c1)O 2230a_100000747277_100000210211 [1,1,0,0,0,0|1,0,0]=3 3402 B14R1.26 CCCCNCCc1cccc(c1)O 34a_100000747277_100000210210 [1,1,0,0,0,0|1,0,0]=3 3403 B14R1.26 CCCCNCCc1cccc(n1)C 2230a_100011824523_100000210211 [1,1,0,0,0,0|2,0,0]=4 3404 B14R1.26 CCCCNCCc1cccc(n1)C 34a_100011824523_100000210210 [1,1,0,0,0,0|2,0,0]=4 3405 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100000210227_100011740638 [1,1,0,0,0,0|2,0,0]=4 3406 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100011217444_100000210210 [1,1,0,0,0,0|2,0,0]=4 3407 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100000210227_100011740638 [1,1,0,0,0,0|2,0,0]=4 3408 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100011217444_100000210211 [1,1,0,0,0,0|2,0,0]=4 3409 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100000210227_100011713685 [1,1,0,0,0,0|2,0,0]=4 3410 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100011217157_100000210210 [1,1,0,0,0,0|2,0,0]=4 3411 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100000210227_100011713685 [1,1,0,0,0,0|2,0,0]=4 3412 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100011217157_100000210211 [1,1,0,0,0,0|2,0,0]=4 3413 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000210227_100011713710 [1,1,0,0,0,0|2,0,0]=4 3414 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000754733_100000210210 [1,1,0,0,0,0|2,0,0]=4 3415 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000210227_100011713710 [1,1,0,0,0,0|2,0,0]=4 3416 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210211 [1,1,0,0,0,0|2,0,0]=4 3417 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000210227_100011217235 [1,1,0,0,0,0|2,0,0]=4 3418 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000763591_100000210210 [1,1,0,0,0,0|2,0,0]=4 3419 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000210227_100011217235 [1,1,0,0,0,0|2,0,0]=4 3420 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000763591_100000210211 [1,1,0,0,0,0|2,0,0]=4 3421 B14R1.26 CCCCOCCc1cccc(c1)N 34a_100011996697_100000210210 [1,1,0,0,0,0|2,0,0]=4 3422 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100000210211_100011740638 [1,1,0,0,0,0|2,0,0]=4 3423 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100011740638_100000210210 [1,1,0,0,0,0|2,0,0]=4 3424 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100000210211_100011713685 [1,1,0,0,0,0|2,0,0]=4 3425 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100011713685_100000210210 [1,1,0,0,0,0|2,0,0]=4 3426 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100000210211_100011713710 [1,1,0,0,0,0|2,0,0]=4 3427 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100011713710_100000210210 [1,1,0,0,0,0|2,0,0]=4 3428 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100000210211_100011217235 [1,1,0,0,0,0|2,0,0]=4 3429 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100011217235_100000210210 [1,1,0,0,0,0|2,0,0]=4 3430 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100000209980_100011740638 [1,1,0,0,0,0|2,0,0]=4 3431 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100011207229_100011201679 [1,1,0,0,0,0|2,0,0]=4 3432 B14R1.26 COCCNCCc1cccc(c1)Br 34a_100011207229_100011201679 [1,1,0,0,0,0|2,0,0]=4 3433 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000209980_100011713685 [1,1,0,0,0,0|2,0,0]=4 3434 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000749837_100011201679 [1,1,0,0,0,0|2,0,0]=4 3435 B14R1.26 COCCNCCc1cccc(c1)C 34a_100000749837_100011201679 [1,1,0,0,0,0|2,0,0]=4 3436 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000185263_100011201679 [1,1,0,0,0,0|2,0,0]=4 3437 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000209980_100011713710 [1,1,0,0,0,0|2,0,0]=4 3438 B14R1.26 COCCNCCc1cccc(c1)Cl 34a_100000185263_100011201679 [1,1,0,0,0,0|2,0,0]=4 3439 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000205154_100011201679 [1,1,0,0,0,0|2,0,0]=4 3440 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000209980_100011217235 [1,1,0,0,0,0|2,0,0]=4 3441 B14R1.26 COCCNCCc1cccc(c1)F 34a_100000205154_100011201679 [1,1,0,0,0,0|2,0,0]=4 3442 B14R1.26 COCCNCCc1cccc(c1)O 2230a_100000747277_100011201679 [1,1,0,0,0,0|2,0,0]=4 3443 B14R1.26 COCCNCCc1cccc(c1)O 34a_100000747277_100011201679 [1,1,0,0,0,0|2,0,0]=4 3444 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100011207229_100000751147 [1,1,0,0,0,0|2,0,0]=4 3445 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100020590264_100011740638 [1,1,0,0,0,0|2,0,0]=4 3446 B14R1.26 CSCCNCCc1cccc(c1)Br 34a_100011207229_100000212216 [1,1,0,0,0,0|2,0,0]=4 3447 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100000749837_100000751147 [1,1,0,0,0,0|2,0,0]=4 3448 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100020590264_100011713685 [1,1,0,0,0,0|2,0,0]=4 3449 B14R1.26 CSCCNCCc1cccc(c1)C 34a_100000749837_100000212216 [1,1,0,0,0,0|2,0,0]=4 3450 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100000185263_100000751147 [1,1,0,0,0,0|2,0,0]=4 3451 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100020590264_100011713710 [1,1,0,0,0,0|2,0,0]=4 3452 B14R1.26 CSCCNCCc1cccc(c1)Cl 34a_100000185263_100000212216 [1,1,0,0,0,0|2,0,0]=4 3453 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100000205154_100000751147 [1,1,0,0,0,0|2,0,0]=4 3454 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100020590264_100011217235 [1,1,0,0,0,0|2,0,0]=4 3455 B14R1.26 CSCCNCCc1cccc(c1)F 34a_100000205154_100000212216 [1,1,0,0,0,0|2,0,0]=4 3456 B14R1.26 CSCCNCCc1cccc(c1)O 2230a_100000747277_100000751147 [1,1,0,0,0,0|2,0,0]=4 3457 B14R1.26 CSCCNCCc1cccc(c1)O 34a_100000747277_100000212216 [1,1,0,0,0,0|2,0,0]=4 3458 B14R1.26 Cc1cccc(c1)CCNCCC#N 2230a_100000749837_100011215226 [1,1,0,0,0,0|1,0,1]=4 3459 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100000749837_100011934791 [1,1,0,0,0,0|0,1,0]=3 3460 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100015189416_100011713685 [1,1,0,0,0,0|0,1,0]=3 3461 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100000749837_100011934791 [1,1,0,0,0,0|0,1,0]=3 3462 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100015189416_100011713685 [1,1,0,0,0,0|0,1,0]=3 3463 B14R1.26 Cc1cccc(c1)CCNCCCO 2230a_100000749837_100000230001 [1,1,0,0,0,0|1,0,0]=3 3464 B14R1.26 Cc1cccc(c1)CCNCCCO 34a_100000749837_100000230001 [1,1,0,0,0,0|1,0,0]=3 3465 B14R1.26 Cc1cccc(c1)CCOCCCBr 34a_100011217188_100011713685 [1,1,0,0,0,0|1,1,0]=4 3466 B14R1.26 Cc1cccc(c1)CCOCCCCl 34a_100000230001_100011713685 [1,1,0,0,0,0|1,0,0]=3 3467 B14R1.26 Cc1cccc(c1)CCOCCCF 34a_100000759539_100011713685 [1,1,0,0,0,0|1,1,0]=4 3468 B14R1.26 Cc1cccc(c1)CCOCCCF 34a_100011217157_100011934791 [1,1,0,0,0,0|1,1,0]=4 3469 B14R1.26 Cc1cccc(c1)CCOCCCF 7a_100011217157_100011934791 [1,1,0,0,0,0|1,1,0]=4 3470 B14R1.26 Cc1cccc(c1)CCOCCCN 34a_100000182051_100011713685 [1,1,0,0,0,0|2,0,0]=4 3471 B14R1.26 Cc1cccc(c1)CCOCCCO 34a_100011217157_100000230001 [1,1,0,0,0,0|2,0,0]=4 3472 B14R1.26 Cc1cccc(c1)CCOCCCO 7a_100011217157_100011215043 [1,1,0,0,0,0|2,0,0]=4 3473 B14R1.26 Cc1cccc(c1)CCSCCCF 62a_100011713685_100011934791 [1,1,0,0,0,0|1,1,0]=4 3474 B14R1.26 Cc1cccc(c1)CCSCCCF 62a_100011934791_100011713685 [1,1,0,0,0,0|1,1,0]=4 3475 B14R1.26 Cc1cccc(c1)CCSCCCO 62a_100011215043_100011713685 [1,1,0,0,0,0|2,0,0]=4 3476 B14R1.26 Cc1cccc(c1)CCSCCCO 62a_100011713685_100011215043 [1,1,0,0,0,0|2,0,0]=4 3477 B14R1.26 Cc1cccc(c1)COCCCCCl 34a_100000210776_100000211840 [1,1,0,0,0,0|2,0,0]=4 3478 B14R1.26 Cc1cccc(c1)COCCCCCl 7a_100000210776_100000211840 [1,1,0,0,0,0|2,0,0]=4 3479 B14R1.26 Cc1cccc(n1)CCNCCCF 2230a_100011824523_100011934791 [1,1,0,0,0,0|1,1,0]=4 3480 B14R1.26 Cc1cccc(n1)CCNCCCF 34a_100011824523_100011934791 [1,1,0,0,0,0|1,1,0]=4 3481 B14R1.26 Cc1cccc(n1)CCNCCCO 2230a_100011824523_100000230001 [1,1,0,0,0,0|2,0,0]=4 3482 B14R1.26 Cc1cccc(n1)CCNCCCO 34a_100011824523_100000230001 [1,1,0,0,0,0|2,0,0]=4 3483 B14R1.26 ClCCCCOCc1cccc(c1)Br 34a_100000210776_100000698116 [1,1,0,0,0,0|2,0,0]=4 3484 B14R1.26 ClCCCCOCc1cccc(c1)Br 7a_100000210776_100000211773 [1,1,0,0,0,0|2,0,0]=4 3485 B14R1.26 ClCCCCOCc1cccc(c1)Cl 34a_100000210776_100000187163 [1,1,0,0,0,0|2,0,0]=4 3486 B14R1.26 ClCCCCOCc1cccc(c1)Cl 7a_100000210776_100000187163 [1,1,0,0,0,0|2,0,0]=4 3487 B14R1.26 ClCCCCOCc1cccc(c1)I 34a_100000210776_100011218688 [1,1,0,0,0,0|2,0,0]=4 3488 B14R1.26 ClCCCCOCc1cccc(c1)I 7a_100000210776_100011218688 [1,1,0,0,0,0|2,0,0]=4 3489 B14R1.26 ClCCCOCCc1cccc(c1)Br 34a_100000230001_100011740638 [1,1,0,0,0,0|1,0,0]=3 3490 B14R1.26 ClCCCOCCc1cccc(c1)Cl 34a_100000230001_100011713710 [1,1,0,0,0,0|1,0,0]=3 3491 B14R1.26 Clc1cccc(c1)CCOCCCBr 34a_100011217188_100011713710 [1,1,0,0,0,0|1,1,0]=4 3492 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100011207229_100011934791 [1,1,0,0,0,0|0,1,0]=3 3493 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100015189416_100011740638 [1,1,0,0,0,0|0,1,0]=3 3494 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100011207229_100011934791 [1,1,0,0,0,0|0,1,0]=3 3495 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100015189416_100011740638 [1,1,0,0,0,0|0,1,0]=3 3496 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100000185263_100011934791 [1,1,0,0,0,0|0,1,0]=3 3497 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100015189416_100011713710 [1,1,0,0,0,0|0,1,0]=3 3498 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100000185263_100011934791 [1,1,0,0,0,0|0,1,0]=3 3499 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100015189416_100011713710 [1,1,0,0,0,0|0,1,0]=3 3500 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100000205154_100011934791 [1,1,0,0,0,0|0,1,0]=3 3501 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100015189416_100011217235 [1,1,0,0,0,0|0,1,0]=3 3502 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100000205154_100011934791 [1,1,0,0,0,0|0,1,0]=3 3503 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100015189416_100011217235 [1,1,0,0,0,0|0,1,0]=3 3504 B14R1.26 FCCCOCCc1cccc(c1)Br 34a_100000759539_100011740638 [1,1,0,0,0,0|1,1,0]=4 3505 B14R1.26 FCCCOCCc1cccc(c1)Br 34a_100011217444_100011934791 [1,1,0,0,0,0|1,1,0]=4 3506 B14R1.26 FCCCOCCc1cccc(c1)Br 7a_100011217444_100011934791 [1,1,0,0,0,0|1,1,0]=4 3507 B14R1.26 FCCCOCCc1cccc(c1)Cl 34a_100000754733_100011934791 [1,1,0,0,0,0|1,1,0]=4 3508 B14R1.26 FCCCOCCc1cccc(c1)Cl 34a_100000759539_100011713710 [1,1,0,0,0,0|1,1,0]=4 3509 B14R1.26 FCCCOCCc1cccc(c1)Cl 7a_100000754733_100011934791 [1,1,0,0,0,0|1,1,0]=4 3510 B14R1.26 FCCCOCCc1cccc(c1)F 34a_100000759539_100011217235 [1,1,0,0,0,0|1,1,0]=4 3511 B14R1.26 FCCCOCCc1cccc(c1)F 34a_100000763591_100011934791 [1,1,0,0,0,0|1,1,0]=4 3512 B14R1.26 FCCCOCCc1cccc(c1)F 7a_100000763591_100011934791 [1,1,0,0,0,0|1,1,0]=4 3513 B14R1.26 FCCCSCCc1cccc(c1)Br 62a_100011740638_100011934791 [1,1,0,0,0,0|1,1,0]=4 3514 B14R1.26 FCCCSCCc1cccc(c1)Br 62a_100011934791_100011740638 [1,1,0,0,0,0|1,1,0]=4 3515 B14R1.26 FCCCSCCc1cccc(c1)Cl 62a_100011713710_100011934791 [1,1,0,0,0,0|1,1,0]=4 3516 B14R1.26 FCCCSCCc1cccc(c1)Cl 62a_100011934791_100011713710 [1,1,0,0,0,0|1,1,0]=4 3517 B14R1.26 FCCCSCCc1cccc(c1)F 62a_100011217235_100011934791 [1,1,0,0,0,0|1,1,0]=4 3518 B14R1.26 FCCCSCCc1cccc(c1)F 62a_100011934791_100011217235 [1,1,0,0,0,0|1,1,0]=4 3519 B14R1.26 Fc1cccc(c1)CCOCCCBr 34a_100011217188_100011217235 [1,1,0,0,0,0|1,1,0]=4 3520 B14R1.26 Fc1cccc(c1)CCOCCCCl 34a_100000230001_100011217235 [1,1,0,0,0,0|1,0,0]=3 3521 B14R1.26 Fc1cccc(c1)COCCCCCl 34a_100000210776_100000187166 [1,1,0,0,0,0|2,0,0]=4 3522 B14R1.26 Fc1cccc(c1)COCCCCCl 7a_100000210776_100000230114 [1,1,0,0,0,0|2,0,0]=4 3523 B14R1.26 N#CCCNCCc1cccc(c1)Br 2230a_100011207229_100011215226 [1,1,0,0,0,0|1,0,1]=4 3524 B14R1.26 N#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100011215226 [1,1,0,0,0,0|1,0,1]=4 3525 B14R1.26 N#CCCNCCc1cccc(c1)F 2230a_100000205154_100011215226 [1,1,0,0,0,0|1,0,1]=4 3526 B14R1.26 N#CCCNCCc1cccc(c1)O 2230a_100000747277_100011215226 [1,1,0,0,0,0|1,0,1]=4 3527 B14R1.26 NCCCOCCc1cccc(c1)Br 34a_100000182051_100011740638 [1,1,0,0,0,0|2,0,0]=4 3528 B14R1.26 NCCCOCCc1cccc(c1)Cl 34a_100000182051_100011713710 [1,1,0,0,0,0|2,0,0]=4 3529 B14R1.26 NCCCOCCc1cccc(c1)F 34a_100000182051_100011217235 [1,1,0,0,0,0|2,0,0]=4 3530 B14R1.26 Nc1cccc(c1)CCOCCCF 34a_100011996697_100011934791 [1,1,0,0,0,0|1,1,0]=4 3531 B14R1.26 Nc1cccc(c1)CCOCCCO 34a_100011996697_100000230001 [1,1,0,0,0,0|2,0,0]=4 3532 B14R1.26 OCCCNCCc1cccc(c1)Br 2230a_100011207229_100000230001 [1,1,0,0,0,0|1,0,0]=3 3533 B14R1.26 OCCCNCCc1cccc(c1)Br 34a_100011207229_100000230001 [1,1,0,0,0,0|1,0,0]=3 3534 B14R1.26 OCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000230001 [1,1,0,0,0,0|1,0,0]=3 3535 B14R1.26 OCCCNCCc1cccc(c1)Cl 34a_100000185263_100000230001 [1,1,0,0,0,0|1,0,0]=3 3536 B14R1.26 OCCCNCCc1cccc(c1)F 2230a_100000205154_100000230001 [1,1,0,0,0,0|1,0,0]=3 3537 B14R1.26 OCCCNCCc1cccc(c1)F 34a_100000205154_100000230001 [1,1,0,0,0,0|1,0,0]=3 3538 B14R1.26 OCCCNCCc1cccc(c1)O 2230a_100000747277_100000230001 [1,1,0,0,0,0|1,0,0]=3 3539 B14R1.26 OCCCNCCc1cccc(c1)O 34a_100000747277_100000230001 [1,1,0,0,0,0|1,0,0]=3 3540 B14R1.26 OCCCOCCc1cccc(c1)Br 34a_100011217444_100000230001 [1,1,0,0,0,0|2,0,0]=4 3541 B14R1.26 OCCCOCCc1cccc(c1)Br 7a_100011217444_100011215043 [1,1,0,0,0,0|2,0,0]=4 3542 B14R1.26 OCCCOCCc1cccc(c1)Cl 34a_100000754733_100000230001 [1,1,0,0,0,0|2,0,0]=4 3543 B14R1.26 OCCCOCCc1cccc(c1)Cl 7a_100000754733_100011215043 [1,1,0,0,0,0|2,0,0]=4 3544 B14R1.26 OCCCOCCc1cccc(c1)F 34a_100000763591_100000230001 [1,1,0,0,0,0|2,0,0]=4 3545 B14R1.26 OCCCOCCc1cccc(c1)F 7a_100000763591_100011215043 [1,1,0,0,0,0|2,0,0]=4 3546 B14R1.26 OCCCSCCc1cccc(c1)Br 62a_100011215043_100011740638 [1,1,0,0,0,0|2,0,0]=4 3547 B14R1.26 OCCCSCCc1cccc(c1)Br 62a_100011740638_100011215043 [1,1,0,0,0,0|2,0,0]=4 3548 B14R1.26 OCCCSCCc1cccc(c1)Cl 62a_100011215043_100011713710 [1,1,0,0,0,0|2,0,0]=4 3549 B14R1.26 OCCCSCCc1cccc(c1)Cl 62a_100011713710_100011215043 [1,1,0,0,0,0|2,0,0]=4 3550 B14R1.26 OCCCSCCc1cccc(c1)F 62a_100011215043_100011217235 [1,1,0,0,0,0|2,0,0]=4 3551 B14R1.26 OCCCSCCc1cccc(c1)F 62a_100011217235_100011215043 [1,1,0,0,0,0|2,0,0]=4 3552 B14R1.26 Oc1cccc(c1)CCNCCCF 2230a_100000747277_100011934791 [1,1,0,0,0,0|0,1,0]=3 3553 B14R1.26 Oc1cccc(c1)CCNCCCF 34a_100000747277_100011934791 [1,1,0,0,0,0|0,1,0]=3 3554 B14R1.26 Oc1cccc(c1)COCCCCCl 34a_100000210776_100011660834 [1,1,0,0,0,0|2,0,0]=4 3555 B14R1.26 Oc1cccc(c1)COCCCCCl 7a_100000210776_100000084143 [1,1,0,0,0,0|2,0,0]=4 3556 B14R1.38 C#CCCNCC(C)c1ccccc1 2230a_100000701038_100000688953 [1,1,0,0,0,0|1,0,1]=4 3557 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000701038_100000688953 [1,1,0,0,0,0|1,0,1]=4 3558 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000755551_100000756946 [1,1,0,0,0,0|1,0,1]=4 3559 B14R1.38 C#CCCNCC(O)c1ccccc1 2230a_100000210709_100000688953 [1,1,0,0,0,0|1,0,1]=4 3560 B14R1.38 C#CCCNCC(O)c1ccccc1 34a_100000755551_100000185958 [1,1,0,0,0,0|1,0,1]=4 3561 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 34a_100000755551_100011933945 [1,1,0,0,0,0|1,0,1]=4 3562 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100000701038_100000754431 [1,1,0,0,0,0|1,0,1]=4 3563 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100015191253_100000756946 [1,1,0,0,0,0|1,0,1]=4 3564 B14R1.38 C=CCCNCC(C)c1ccccc1 270004a_100015191253_100000212034 [1,1,0,0,0,0|1,0,1]=4 3565 B14R1.38 C=CCCNCC(C)c1ccccc1 34a_100000701038_100000754431 [1,1,0,0,0,0|1,0,1]=4 3566 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100000210709_100000754431 [1,1,0,0,0,0|1,0,1]=4 3567 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100015191253_100000185958 [1,1,0,0,0,0|1,0,1]=4 3568 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 2230a_100015191253_100011933945 [1,1,0,0,0,0|1,0,1]=4 3569 B14R1.38 CC(CNCCC#N)c1ccccc1 2230a_100000701038_100011215226 [1,1,0,0,0,0|1,0,1]=4 3570 B14R1.38 CC(CNCCC#N)c1ccccc1 270004a_100000720768_100000212034 [1,1,0,0,0,0|1,0,1]=4 3571 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100000701038_100011934791 [1,1,0,0,0,0|0,1,0]=3 3572 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100015189416_100000756946 [1,1,0,0,0,0|0,1,0]=3 3573 B14R1.38 CC(CNCCCF)c1ccccc1 270004a_100015189416_100000212034 [1,1,0,0,0,0|0,1,0]=3 3574 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100000701038_100011934791 [1,1,0,0,0,0|0,1,0]=3 3575 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100015189416_100000756946 [1,1,0,0,0,0|0,1,0]=3 3576 B14R1.38 CC(CNCCCO)c1ccccc1 2230a_100000701038_100000230001 [1,1,0,0,0,0|1,0,0]=3 3577 B14R1.38 CC(CNCCCO)c1ccccc1 270004a_100000182051_100000212034 [1,1,0,0,0,0|1,0,0]=3 3578 B14R1.38 CC(CNCCCO)c1ccccc1 34a_100000701038_100000230001 [1,1,0,0,0,0|1,0,0]=3 3579 B14R1.38 CC(COCCCBr)c1ccccc1 34a_100011217188_100000756946 [1,1,0,0,0,0|1,1,0]=4 3580 B14R1.38 CC(COCCCCl)c1ccccc1 34a_100000230001_100000756946 [1,1,0,0,0,0|1,0,0]=3 3581 B14R1.38 CC(COCCCF)c1ccccc1 34a_100000759539_100000756946 [1,1,0,0,0,0|1,1,0]=4 3582 B14R1.38 CC(COCCCF)c1ccccc1 34a_100011215166_100011934791 [1,1,0,0,0,0|1,1,0]=4 3583 B14R1.38 CC(COCCCF)c1ccccc1 7a_100011215166_100011934791 [1,1,0,0,0,0|1,1,0]=4 3584 B14R1.38 CC(COCCCN)c1ccccc1 34a_100000182051_100000756946 [1,1,0,0,0,0|2,0,0]=4 3585 B14R1.38 CC(COCCCO)c1ccccc1 34a_100011215166_100000230001 [1,1,0,0,0,0|2,0,0]=4 3586 B14R1.38 CC(COCCCO)c1ccccc1 7a_100011215166_100011215043 [1,1,0,0,0,0|2,0,0]=4 3587 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100000756946_100011934791 [1,1,0,0,0,0|1,1,0]=4 3588 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100011934791_100000756946 [1,1,0,0,0,0|1,1,0]=4 3589 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100000756946_100011215043 [1,1,0,0,0,0|2,0,0]=4 3590 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100011215043_100000756946 [1,1,0,0,0,0|2,0,0]=4 3591 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [1,1,0,0,0,0|2,0,0]=4 3592 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [1,1,0,0,0,0|2,0,0]=4 3593 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [1,1,0,0,0,0|1,0,1]=4 3594 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [1,1,0,0,0,0|1,0,0]=3 3595 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [1,1,0,0,0,0|1,0,0]=3 3596 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [1,1,0,0,0,0|1,0,0]=3 3597 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [1,1,0,0,0,0|1,0,0]=3 3598 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [1,1,0,0,0,0|1,0,0]=3 3599 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [1,1,0,0,0,0|1,0,0]=3 3600 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [1,1,0,0,0,0|1,0,0]=3 3601 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [1,1,0,0,0,0|1,0,0]=3 3602 B14R1.38 CCCCNCC(O)c1ccccn1 2230a_100000691469_100000210211 [1,1,0,0,0,0|2,0,0]=4 3603 B14R1.38 CCCCNCC(O)c1cccnc1 2230a_100020605170_100000210211 [1,1,0,0,0,0|2,0,0]=4 3604 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [1,1,0,0,0,0|1,0,0]=3 3605 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [1,1,0,0,0,0|1,0,0]=3 3606 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [1,1,0,0,0,0|2,0,0]=4 3607 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [1,1,0,0,0,0|2,0,0]=4 3608 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [1,1,0,0,0,0|2,0,0]=4 3609 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [1,1,0,0,0,0|2,0,0]=4 3610 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [1,1,0,0,0,0|2,0,0]=4 3611 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [1,1,0,0,0,0|2,0,0]=4 3612 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [1,1,0,0,0,0|2,0,0]=4 3613 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [1,1,0,0,0,0|2,0,0]=4 3614 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [1,1,0,0,0,0|2,0,0]=4 3615 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [1,1,0,0,0,0|2,0,0]=4 3616 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [1,1,0,0,0,0|2,0,0]=4 3617 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [1,1,0,0,0,0|2,0,0]=4 3618 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [1,1,0,0,0,0|2,0,0]=4 3619 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [1,1,0,0,0,0|2,0,0]=4 3620 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [1,1,0,0,0,0|2,0,0]=4 3621 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000209980_100000756946 [1,1,0,0,0,0|2,0,0]=4 3622 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000701038_100011201679 [1,1,0,0,0,0|2,0,0]=4 3623 B14R1.38 COCCNCC(C)c1ccccc1 270004a_100000209980_100000212034 [1,1,0,0,0,0|2,0,0]=4 3624 B14R1.38 COCCNCC(C)c1ccccc1 34a_100000701038_100011201679 [1,1,0,0,0,0|2,0,0]=4 3625 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000209980_100000185958 [1,1,0,0,0,0|2,0,0]=4 3626 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000210709_100011201679 [1,1,0,0,0,0|2,0,0]=4 3627 B14R1.38 COCCNC[C@@H](O)c1ccccc1 2230a_100000209980_100011933945 [1,1,0,0,0,0|2,0,0]=4 3628 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [1,1,0,0,0,0|2,0,0]=4 3629 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [1,1,0,0,0,0|2,0,0]=4 3630 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [1,1,0,0,0,0|2,0,0]=4 3631 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [1,1,0,0,0,0|2,0,0]=4 3632 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [1,1,0,0,0,0|2,0,0]=4 3633 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [1,1,0,0,0,0|2,0,0]=4 3634 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [1,1,0,0,0,0|2,0,0]=4 3635 B14R1.38 N#CCCNCC(O)c1ccccc1 2230a_100000210709_100011215226 [1,1,0,0,0,0|1,0,1]=4 3636 B14R1.38 NCCCOCC(O)c1ccccc1 34a_100000182051_100000185958 [1,1,0,0,0,0|2,0,0]=4 3637 B14R1.38 NCCCOC[C@@H](O)c1ccccc1 34a_100000182051_100011933945 [1,1,0,0,0,0|2,0,0]=4 3638 B14R1.38 N[C@H](COCCCF)c1ccccc1 34a_100000751927_100011934791 [1,1,0,0,0,0|1,1,0]=4 3639 B14R1.38 N[C@H](COCCCO)c1ccccc1 34a_100000751927_100000230001 [1,1,0,0,0,0|2,0,0]=4 3640 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100000210709_100011934791 [1,1,0,0,0,0|0,1,0]=3 3641 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100015189416_100000185958 [1,1,0,0,0,0|0,1,0]=3 3642 B14R1.38 OC(CNCCCF)c1ccccc1 34a_100015189416_100000185958 [1,1,0,0,0,0|0,1,0]=3 3643 B14R1.38 OC(CNCCCF)c1ccccn1 2230a_100000691469_100011934791 [1,1,0,0,0,0|1,1,0]=4 3644 B14R1.38 OC(CNCCCF)c1cccnc1 2230a_100020605170_100011934791 [1,1,0,0,0,0|1,1,0]=4 3645 B14R1.38 OC(COCCCBr)c1ccccc1 34a_100011217188_100000185958 [1,1,0,0,0,0|1,1,0]=4 3646 B14R1.38 OC(COCCCCl)c1ccccc1 34a_100000230001_100000185958 [1,1,0,0,0,0|1,0,0]=3 3647 B14R1.38 OC(COCCCF)c1ccccc1 34a_100000759539_100000185958 [1,1,0,0,0,0|1,1,0]=4 3648 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100000185958_100011934791 [1,1,0,0,0,0|1,1,0]=4 3649 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100011934791_100000185958 [1,1,0,0,0,0|1,1,0]=4 3650 B14R1.38 OCCCNCC(O)c1ccccc1 2230a_100000210709_100000230001 [1,1,0,0,0,0|1,0,0]=3 3651 B14R1.38 OCCCNCC(O)c1ccccn1 2230a_100000691469_100000230001 [1,1,0,0,0,0|2,0,0]=4 3652 B14R1.38 OCCCNCC(O)c1cccnc1 2230a_100020605170_100000230001 [1,1,0,0,0,0|2,0,0]=4 3653 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100000185958_100011215043 [1,1,0,0,0,0|2,0,0]=4 3654 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100011215043_100000185958 [1,1,0,0,0,0|2,0,0]=4 3655 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011215043_100011933945 [1,1,0,0,0,0|2,0,0]=4 3656 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215043 [1,1,0,0,0,0|2,0,0]=4 3657 B14R1.38 O[C@H](CNCCCF)c1ccccc1 2230a_100015189416_100011933945 [1,1,0,0,0,0|0,1,0]=3 3658 B14R1.38 O[C@H](CNCCCF)c1ccccc1 34a_100015189416_100011933945 [1,1,0,0,0,0|0,1,0]=3 3659 B14R1.38 O[C@H](COCCCBr)c1ccccc1 34a_100011217188_100011933945 [1,1,0,0,0,0|1,1,0]=4 3660 B14R1.38 O[C@H](COCCCCl)c1ccccc1 34a_100000230001_100011933945 [1,1,0,0,0,0|1,0,0]=3 3661 B14R1.38 O[C@H](COCCCF)c1ccccc1 34a_100000759539_100011933945 [1,1,0,0,0,0|1,1,0]=4 3662 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011933945_100011934791 [1,1,0,0,0,0|1,1,0]=4 3663 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011934791_100011933945 [1,1,0,0,0,0|1,1,0]=4 3664 B14R1.123 BrCCCCCOCc1ccccc1 34a_100000746331_100015291786 [1,1,0,0,0,0|1,1,0]=4 3665 B14R1.123 BrCCCCCOCc1ccccc1 7a_100000746331_100000211182 [1,1,0,0,0,0|1,1,0]=4 3666 B14R1.123 BrCCCCOCCc1ccccc1 34a_100011216708_100000765856 [1,1,0,0,0,0|1,1,0]=4 3667 B14R1.123 BrCCCOCCCc1ccccc1 34a_100011217188_100000211621 [1,1,0,0,0,0|1,1,0]=4 3668 B14R1.123 BrCCCOCCOc1ccccc1 34a_100011217188_100000184471 [1,1,0,0,0,0|1,1,0]=4 3669 B14R1.123 BrCCCOCCSc1ccccc1 34a_100011217188_100000246102 [1,1,0,0,0,0|1,1,0]=4 3670 B14R1.123 BrCCCOCOCc1ccccc1 34a_100011217188_100000763385 [1,1,0,0,0,0|1,1,0]=4 3671 B14R1.123 BrCCCOCSCc1ccccc1 34a_100011217188_200011217039 [1,1,0,0,0,0|1,1,0]=4 3672 B14R1.123 BrCCOCCCCc1ccccc1 34a_100000211926_100000701786 [1,1,0,0,0,0|1,1,0]=4 3673 B14R1.123 C#CCCCNCCc1ccccc1 2230a_100000106460_100000731252 [1,1,0,0,0,0|1,0,0]=3 3674 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000106460_100000695029 [1,1,0,0,0,0|1,0,0]=3 3675 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000718082_100000765856 [1,1,0,0,0,0|1,0,0]=3 3676 B14R1.123 C#CCCCNCCc1cccnc1 2230a_100000736294_100000731252 [1,1,0,0,0,0|2,0,0]=4 3677 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000210268_100000695029 [1,1,0,0,0,0|2,0,0]=4 3678 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000215630_100000765856 [1,1,0,0,0,0|2,0,0]=4 3679 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000210268_100011215417 [1,1,0,0,0,0|2,0,0]=4 3680 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000215630_100000765856 [1,1,0,0,0,0|2,0,0]=4 3681 B14R1.123 C#CCCCSCCc1ccccc1 62a_100000765856_100011215417 [1,1,0,0,0,0|2,0,0]=4 3682 B14R1.123 C#CCCCSCCc1ccccc1 62a_100011215417_100011218657 [1,1,0,0,0,0|2,0,0]=4 3683 B14R1.123 C#CCCNCCCc1ccccc1 2230a_100000211184_100000688953 [1,1,0,0,0,0|1,0,1]=4 3684 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000211184_100000688953 [1,1,0,0,0,0|1,0,1]=4 3685 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000755551_100000211621 [1,1,0,0,0,0|1,0,1]=4 3686 B14R1.123 C#CCCNCCOc1ccccc1 2230a_100000174943_100000688953 [1,1,0,0,0,0|1,0,1]=4 3687 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000174943_100000688953 [1,1,0,0,0,0|1,0,1]=4 3688 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000755551_100000184471 [1,1,0,0,0,0|1,0,1]=4 3689 B14R1.123 C#CCCNCCSc1ccccc1 2230a_100000189519_100000688953 [1,1,0,0,0,0|1,0,1]=4 3690 B14R1.123 C#CCCNCCSc1ccccc1 34a_100000755551_100000246102 [1,1,0,0,0,0|1,0,1]=4 3691 B14R1.123 C#CCCNCOCc1ccccc1 34a_100000755551_100000763385 [1,1,0,0,0,0|1,0,1]=4 3692 B14R1.123 C#CCCNCSCc1ccccc1 34a_100000755551_200011217039 [1,1,0,0,0,0|1,0,1]=4 3693 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000106460_100011713584 [1,1,0,0,0,0|1,0,0]=3 3694 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000700776_100000765856 [1,1,0,0,0,0|1,0,0]=3 3695 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000106460_100000757094 [1,1,0,0,0,0|1,0,0]=3 3696 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000700776_100000765856 [1,1,0,0,0,0|1,0,0]=3 3697 B14R1.123 C=CCCCNCCc1ccccn1 2230a_100000700776_100015183660 [1,1,0,0,0,0|2,0,0]=4 3698 B14R1.123 C=CCCCNCCc1cccnc1 2230a_100000700776_200011713674 [1,1,0,0,0,0|2,0,0]=4 3699 B14R1.123 C=CCCCNCCc1cccnc1 2230a_100000736294_100011713584 [1,1,0,0,0,0|2,0,0]=4 3700 B14R1.123 C=CCCCNCCc1ccncc1 2230a_100000700776_100000723409 [1,1,0,0,0,0|2,0,0]=4 3701 B14R1.123 C=CCCCNCSc1ccccc1 2230a_100000700776_100011218342 [1,1,0,0,0,0|2,0,0]=4 3702 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000210268_100000757094 [1,1,0,0,0,0|2,0,0]=4 3703 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000758997_100000765856 [1,1,0,0,0,0|2,0,0]=4 3704 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000210268_100000757094 [1,1,0,0,0,0|2,0,0]=4 3705 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000758997_100000765856 [1,1,0,0,0,0|2,0,0]=4 3706 B14R1.123 C=CCCCSCCc1ccccc1 62a_100000765856_100000757094 [1,1,0,0,0,0|2,0,0]=4 3707 B14R1.123 C=CCCCSCCc1ccccc1 62a_100011713584_100011218657 [1,1,0,0,0,0|2,0,0]=4 3708 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100000211184_100000754431 [1,1,0,0,0,0|1,0,1]=4 3709 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100015191253_100000211621 [1,1,0,0,0,0|1,0,1]=4 3710 B14R1.123 C=CCCNCCCc1ccccc1 34a_100000211184_100000754431 [1,1,0,0,0,0|1,0,1]=4 3711 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100000174943_100000754431 [1,1,0,0,0,0|1,0,1]=4 3712 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100015191253_100000184471 [1,1,0,0,0,0|1,0,1]=4 3713 B14R1.123 C=CCCNCCOc1ccccc1 270004a_100015191253_100000758736 [1,1,0,0,0,0|1,0,1]=4 3714 B14R1.123 C=CCCNCCOc1ccccc1 34a_100000174943_100000754431 [1,1,0,0,0,0|1,0,1]=4 3715 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100000189519_100000754431 [1,1,0,0,0,0|1,0,1]=4 3716 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100015191253_100000246102 [1,1,0,0,0,0|1,0,1]=4 3717 B14R1.123 C=CCCNCOCc1ccccc1 2230a_100015191253_100000763385 [1,1,0,0,0,0|1,0,1]=4 3718 B14R1.123 C=CCCNCSCc1ccccc1 2230a_100015191253_200011217039 [1,1,0,0,0,0|1,0,1]=4 3719 B14R1.123 C=COCCNCCc1ccccc1 2230a_100000106460_100000039644 [1,1,0,0,0,0|1,0,1]=4 3720 B14R1.123 C=COCCNCCc1ccccc1 34a_100000106460_100000039644 [1,1,0,0,0,0|1,0,1]=4 3721 B14R1.123 CC/C=C\CNCCc1ccccc1 2230a_100000106460_100103147603 [1,1,0,0,0,0|1,0,1]=4 3722 B14R1.123 CC/C=C\CNCCc1ccccc1 34a_100000106460_100103147603 [1,1,0,0,0,0|1,0,1]=4 3723 B14R1.123 CCC#CCNCCc1ccccc1 2230a_100000106460_100009813939 [1,1,0,0,0,0|1,0,1]=4 3724 B14R1.123 CCC#CCNCCc1ccccc1 34a_100000106460_100009813939 [1,1,0,0,0,0|1,0,1]=4 3725 B14R1.123 CCCC=NNCCc1ccccc1 4a_100000740470_100000185831 [1,1,0,0,0,0|1,0,1]=4 3726 B14R1.123 CCCCCCCNc1ccccc1 34a_100000106764_100000210614 [1,1,0,0,0,0|2,0,0]=4 3727 B14R1.123 CCCCCCCOc1ccccc1 34a_100000210340_100000210614 [1,1,0,0,0,0|2,0,0]=4 3728 B14R1.123 CCCCCCCOc1ccccc1 7a_100000210340_100000210614 [1,1,0,0,0,0|2,0,0]=4 3729 B14R1.123 CCCCCCCSc1ccccc1 62a_100000210614_100000041952 [1,1,0,0,0,0|2,0,0]=4 3730 B14R1.123 CCCCCCCSc1ccccc1 62a_100000719477_100000210316 [1,1,0,0,0,0|2,0,0]=4 3731 B14R1.123 CCCCCCNCc1ccccc1 207a_100000210581_100015611070 [1,1,0,0,0,0|2,0,0]=4 3732 B14R1.123 CCCCCCNCc1ccccc1 2230a_100000210581_100015291786 [1,1,0,0,0,0|2,0,0]=4 3733 B14R1.123 CCCCCCNCc1ccccc1 2230a_100015324214_100000210314 [1,1,0,0,0,0|2,0,0]=4 3734 B14R1.123 CCCCCCNCc1ccccc1 270004a_100000210581_100015611070 [1,1,0,0,0,0|2,0,0]=4 3735 B14R1.123 CCCCCCNCc1ccccc1 34a_100015324214_100000210314 [1,1,0,0,0,0|2,0,0]=4 3736 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210259_100015291786 [1,1,0,0,0,0|2,0,0]=4 3737 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210790_100000210314 [1,1,0,0,0,0|2,0,0]=4 3738 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210259_100000211182 [1,1,0,0,0,0|2,0,0]=4 3739 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210790_100000210314 [1,1,0,0,0,0|2,0,0]=4 3740 B14R1.123 CCCCCCSCc1ccccc1 62a_100000210314_100015291786 [1,1,0,0,0,0|2,0,0]=4 3741 B14R1.123 CCCCCCSCc1ccccc1 62a_100000211182_100000210757 [1,1,0,0,0,0|2,0,0]=4 3742 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [1,1,0,0,0,0|1,0,0]=3 3743 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [1,1,0,0,0,0|1,0,0]=3 3744 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [1,1,0,0,0,0|1,0,0]=3 3745 B14R1.123 CCCCCNCCc1ccccn1 2230a_100000209983_100015183660 [1,1,0,0,0,0|2,0,0]=4 3746 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000209983_200011713674 [1,1,0,0,0,0|2,0,0]=4 3747 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000736294_100000210326 [1,1,0,0,0,0|2,0,0]=4 3748 B14R1.123 CCCCCNCCc1ccncc1 2230a_100000209983_100000723409 [1,1,0,0,0,0|2,0,0]=4 3749 B14R1.123 CCCCCNCSc1ccccc1 2230a_100000209983_100011218342 [1,1,0,0,0,0|2,0,0]=4 3750 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210253_100000765856 [1,1,0,0,0,0|2,0,0]=4 3751 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210268_100000718602 [1,1,0,0,0,0|2,0,0]=4 3752 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210253_100000765856 [1,1,0,0,0,0|2,0,0]=4 3753 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210268_100000210326 [1,1,0,0,0,0|2,0,0]=4 3754 B14R1.123 CCCCCSCCc1ccccc1 62a_100000210326_100011218657 [1,1,0,0,0,0|2,0,0]=4 3755 B14R1.123 CCCCCSCCc1ccccc1 62a_100000765856_100000210326 [1,1,0,0,0,0|2,0,0]=4 3756 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,1,0,0,0,0|1,0,1]=4 3757 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,1,0,0,0,0|1,0,1]=4 3758 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,1,0,0,0,0|1,0,1]=4 3759 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,1,0,0,0,0|1,0,1]=4 3760 B14R1.123 CCCCNCC#Cc1ccccc1 2230a_100000102301_100011352542 [1,1,0,0,0,0|1,0,1]=4 3761 B14R1.123 CCCCNCC#Cc1ccccc1 34a_100000735379_100000210210 [1,1,0,0,0,0|1,0,1]=4 3762 B14R1.123 CCCCNCC#Cc1ccccc1 7a_106832991798_100011352542 [1,1,0,0,0,0|1,0,1]=4 3763 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,1,0,0,0,0|1,0,1]=4 3764 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [1,1,0,0,0,0|1,0,0]=3 3765 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [1,1,0,0,0,0|1,0,0]=3 3766 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [1,1,0,0,0,0|1,0,0]=3 3767 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [1,1,0,0,0,0|1,0,0]=3 3768 B14R1.123 CCCCNCCCc1cccnc1 2230a_100011532358_100000210211 [1,1,0,0,0,0|2,0,0]=4 3769 B14R1.123 CCCCNCCCc1cccnc1 34a_100011532358_100000210210 [1,1,0,0,0,0|2,0,0]=4 3770 B14R1.123 CCCCNCCCc1ccncc1 2230a_100011275580_100000210211 [1,1,0,0,0,0|2,0,0]=4 3771 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000102301_100000184471 [1,1,0,0,0,0|1,0,0]=3 3772 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000174943_100000210211 [1,1,0,0,0,0|1,0,0]=3 3773 B14R1.123 CCCCNCCOc1ccccc1 270004a_100000102301_100000758736 [1,1,0,0,0,0|1,0,0]=3 3774 B14R1.123 CCCCNCCOc1ccccc1 34a_100000174943_100000210210 [1,1,0,0,0,0|1,0,0]=3 3775 B14R1.123 CCCCNCCOc1ccccc1 7a_106832991798_100000184471 [1,1,0,0,0,0|1,0,0]=3 3776 B14R1.123 CCCCNCCOc1ccccn1 2230a_106741647558_100000210211 [1,1,0,0,0,0|2,0,0]=4 3777 B14R1.123 CCCCNCCOc1cccnc1 2230a_100000754688_100000210211 [1,1,0,0,0,0|2,0,0]=4 3778 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000102301_100000246102 [1,1,0,0,0,0|1,0,0]=3 3779 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000189519_100000210211 [1,1,0,0,0,0|1,0,0]=3 3780 B14R1.123 CCCCNCCSc1ccccc1 7a_106832991798_100000246102 [1,1,0,0,0,0|1,0,0]=3 3781 B14R1.123 CCCCNCOCc1ccccc1 2230a_100000102301_100000763385 [1,1,0,0,0,0|1,0,0]=3 3782 B14R1.123 CCCCNCSCc1ccccc1 2230a_100000102301_200011217039 [1,1,0,0,0,0|1,0,0]=3 3783 B14R1.123 CCCCNN=CCc1ccccc1 4a_100025702795_100000209964 [1,1,0,0,0,0|1,0,1]=4 3784 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [1,1,0,0,0,0|2,0,0]=4 3785 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [1,1,0,0,0,0|2,0,0]=4 3786 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [1,1,0,0,0,0|2,0,0]=4 3787 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [1,1,0,0,0,0|2,0,0]=4 3788 B14R1.123 CCCCOCCNc1ccccc1 34a_100000106764_100000743108 [1,1,0,0,0,0|2,0,0]=4 3789 B14R1.123 CCCCOCCNc1ccccc1 34a_100000211345_100000210210 [1,1,0,0,0,0|2,0,0]=4 3790 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210227_100000184471 [1,1,0,0,0,0|2,0,0]=4 3791 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210260_100000210210 [1,1,0,0,0,0|2,0,0]=4 3792 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210340_100000743108 [1,1,0,0,0,0|2,0,0]=4 3793 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210227_100000184471 [1,1,0,0,0,0|2,0,0]=4 3794 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210260_100000210211 [1,1,0,0,0,0|2,0,0]=4 3795 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210340_100000743108 [1,1,0,0,0,0|2,0,0]=4 3796 B14R1.123 CCCCOCCSc1ccccc1 34a_100000210227_100000246102 [1,1,0,0,0,0|2,0,0]=4 3797 B14R1.123 CCCCOCCSc1ccccc1 62a_100000719477_100000743108 [1,1,0,0,0,0|2,0,0]=4 3798 B14R1.123 CCCCOCCSc1ccccc1 62a_100000743108_100000041952 [1,1,0,0,0,0|2,0,0]=4 3799 B14R1.123 CCCCOCCSc1ccccc1 7a_100000210227_100000246102 [1,1,0,0,0,0|2,0,0]=4 3800 B14R1.123 CCCCOCCSc1ccccc1 7a_100000230494_100000210211 [1,1,0,0,0,0|2,0,0]=4 3801 B14R1.123 CCCCOCNCc1ccccc1 2230a_100015324214_100011995733 [1,1,0,0,0,0|2,0,0]=4 3802 B14R1.123 CCCCOCNCc1ccccc1 34a_100015324214_100011995733 [1,1,0,0,0,0|2,0,0]=4 3803 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210227_100000763385 [1,1,0,0,0,0|2,0,0]=4 3804 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210790_100011995733 [1,1,0,0,0,0|2,0,0]=4 3805 B14R1.123 CCCCOCSCc1ccccc1 34a_100000210227_200011217039 [1,1,0,0,0,0|2,0,0]=4 3806 B14R1.123 CCCCOCSCc1ccccc1 62a_100000211182_100011995733 [1,1,0,0,0,0|2,0,0]=4 3807 B14R1.123 CCCCOCSCc1ccccc1 62a_100011995733_100015291786 [1,1,0,0,0,0|2,0,0]=4 3808 B14R1.123 CCCCSCCCc1ccccc1 62a_100000210211_100000211621 [1,1,0,0,0,0|2,0,0]=4 3809 B14R1.123 CCCCSCCCc1ccccc1 62a_100000211621_100000210210 [1,1,0,0,0,0|2,0,0]=4 3810 B14R1.123 CCCCSCCOc1ccccc1 62a_100000184471_100000210210 [1,1,0,0,0,0|2,0,0]=4 3811 B14R1.123 CCCCSCCOc1ccccc1 62a_100000210211_100000184471 [1,1,0,0,0,0|2,0,0]=4 3812 B14R1.123 CCCCSCCSc1ccccc1 62a_100000210211_100000246102 [1,1,0,0,0,0|2,0,0]=4 3813 B14R1.123 CCCCSCCSc1ccccc1 62a_100000246102_100000210210 [1,1,0,0,0,0|2,0,0]=4 3814 B14R1.123 CCCCSCOCc1ccccc1 62a_100000210211_100000763385 [1,1,0,0,0,0|2,0,0]=4 3815 B14R1.123 CCCCSCOCc1ccccc1 62a_100000763385_100000210210 [1,1,0,0,0,0|2,0,0]=4 3816 B14R1.123 CCCCSCSCc1ccccc1 62a_100000210211_200011217039 [1,1,0,0,0,0|2,0,0]=4 3817 B14R1.123 CCCCSCSCc1ccccc1 62a_200011217039_100000210210 [1,1,0,0,0,0|2,0,0]=4 3818 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [1,1,0,0,0,0|2,0,0]=4 3819 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [1,1,0,0,0,0|2,0,0]=4 3820 B14R1.123 CCCOCCCCc1ccccc1 34a_100000210258_100000701786 [1,1,0,0,0,0|2,0,0]=4 3821 B14R1.123 CCCOCCCCc1ccccc1 34a_100000703073_100000210303 [1,1,0,0,0,0|2,0,0]=4 3822 B14R1.123 CCCOCCCCc1ccccc1 7a_100000703073_100000210303 [1,1,0,0,0,0|2,0,0]=4 3823 B14R1.123 CCCSCCCCc1ccccc1 62a_100000210303_100000701786 [1,1,0,0,0,0|2,0,0]=4 3824 B14R1.123 CCCSCCCCc1ccccc1 62a_100000701786_100000210303 [1,1,0,0,0,0|2,0,0]=4 3825 B14R1.123 CCNCCCCCc1ccccc1 2230a_100000750932_100000210202 [1,1,0,0,0,0|2,0,0]=4 3826 B14R1.123 CCNCCCCCc1ccccc1 2230a_100015525214_200011217138 [1,1,0,0,0,0|2,0,0]=4 3827 B14R1.123 CCNCCCCCc1ccccc1 34a_100000750932_100000210202 [1,1,0,0,0,0|2,0,0]=4 3828 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [1,1,0,0,0,0|2,0,0]=4 3829 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [1,1,0,0,0,0|2,0,0]=4 3830 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [1,1,0,0,0,0|2,0,0]=4 3831 B14R1.123 CCOCCNCCc1ccccc1 2230a_100000106460_100011215890 [1,1,0,0,0,0|1,0,0]=3 3832 B14R1.123 CCOCCNCCc1ccccc1 2230a_102516460346_100000765856 [1,1,0,0,0,0|1,0,0]=3 3833 B14R1.123 CCOCCNCCc1ccccc1 34a_100000106460_100000210147 [1,1,0,0,0,0|1,0,0]=3 3834 B14R1.123 CCOCCNCCc1ccccc1 34a_102516460346_100000765856 [1,1,0,0,0,0|1,0,0]=3 3835 B14R1.123 CCOCCNCCc1ccccn1 2230a_102516460346_100015183660 [1,1,0,0,0,0|2,0,0]=4 3836 B14R1.123 CCOCCNCCc1cccnc1 2230a_100000736294_100011215890 [1,1,0,0,0,0|2,0,0]=4 3837 B14R1.123 CCOCCNCCc1cccnc1 2230a_102516460346_200011713674 [1,1,0,0,0,0|2,0,0]=4 3838 B14R1.123 CCOCCNCCc1ccncc1 2230a_102516460346_100000723409 [1,1,0,0,0,0|2,0,0]=4 3839 B14R1.123 CCOCCNCSc1ccccc1 2230a_102516460346_100011218342 [1,1,0,0,0,0|2,0,0]=4 3840 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210136_100000765856 [1,1,0,0,0,0|2,0,0]=4 3841 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210268_100000210147 [1,1,0,0,0,0|2,0,0]=4 3842 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210136_100000765856 [1,1,0,0,0,0|2,0,0]=4 3843 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210268_100011215890 [1,1,0,0,0,0|2,0,0]=4 3844 B14R1.123 CCOCCSCCc1ccccc1 62a_100000210147_100011218657 [1,1,0,0,0,0|2,0,0]=4 3845 B14R1.123 CCOCCSCCc1ccccc1 62a_100000765856_100011215890 [1,1,0,0,0,0|2,0,0]=4 3846 B14R1.123 CCSCCCCCc1ccccc1 62a_100000210202_200011217138 [1,1,0,0,0,0|2,0,0]=4 3847 B14R1.123 CCSCCCCCc1ccccc1 62a_200011217138_100000210202 [1,1,0,0,0,0|2,0,0]=4 3848 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [1,1,0,0,0,0|1,0,0]=3 3849 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [1,1,0,0,0,0|1,0,0]=3 3850 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [1,1,0,0,0,0|1,0,0]=3 3851 B14R1.123 CCSCCNCCc1ccccn1 2230a_100000106463_100015183660 [1,1,0,0,0,0|2,0,0]=4 3852 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000106463_200011713674 [1,1,0,0,0,0|2,0,0]=4 3853 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000736294_100000757381 [1,1,0,0,0,0|2,0,0]=4 3854 B14R1.123 CCSCCNCCc1ccncc1 2230a_100000106463_100000723409 [1,1,0,0,0,0|2,0,0]=4 3855 B14R1.123 CCSCCNCSc1ccccc1 2230a_100000106463_100011218342 [1,1,0,0,0,0|2,0,0]=4 3856 B14R1.123 CCSCCOCCc1ccccc1 34a_100000210268_100000757381 [1,1,0,0,0,0|2,0,0]=4 3857 B14R1.123 CCSCCOCCc1ccccc1 34a_100000212035_100000765856 [1,1,0,0,0,0|2,0,0]=4 3858 B14R1.123 CCSCCOCCc1ccccc1 7a_100000210268_100000757381 [1,1,0,0,0,0|2,0,0]=4 3859 B14R1.123 CCSCCOCCc1ccccc1 7a_100000212035_100000765856 [1,1,0,0,0,0|2,0,0]=4 3860 B14R1.123 CCSCCSCCc1ccccc1 62a_100000757381_100011218657 [1,1,0,0,0,0|2,0,0]=4 3861 B14R1.123 CCSCCSCCc1ccccc1 62a_100000765856_100000757381 [1,1,0,0,0,0|2,0,0]=4 3862 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [1,1,0,0,0,0|2,0,0]=4 3863 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [1,1,0,0,0,0|2,0,0]=4 3864 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [1,1,0,0,0,0|2,0,0]=4 3865 B14R1.123 CNCCCOCCc1ccccc1 34a_100000213112_100000765856 [1,1,0,0,0,0|2,0,0]=4 3866 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [1,1,0,0,0,0|2,0,0]=4 3867 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [1,1,0,0,0,0|2,0,0]=4 3868 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [1,1,0,0,0,0|2,0,0]=4 3869 B14R1.123 COCCCNCCc1ccccc1 2230a_100000106460_100000740836 [1,1,0,0,0,0|1,0,0]=3 3870 B14R1.123 COCCCNCCc1ccccc1 34a_100000106460_100000740836 [1,1,0,0,0,0|1,0,0]=3 3871 B14R1.123 COCCCNCCc1ccccc1 34a_100150723488_100000765856 [1,1,0,0,0,0|1,0,0]=3 3872 B14R1.123 COCCCNCCc1cccnc1 2230a_100000736294_100000740836 [1,1,0,0,0,0|2,0,0]=4 3873 B14R1.123 COCCCOCCc1ccccc1 34a_100000210268_100000740836 [1,1,0,0,0,0|2,0,0]=4 3874 B14R1.123 COCCCOCCc1ccccc1 34a_100000740835_100000765856 [1,1,0,0,0,0|2,0,0]=4 3875 B14R1.123 COCCCOCCc1ccccc1 7a_100000210268_100000740836 [1,1,0,0,0,0|2,0,0]=4 3876 B14R1.123 COCCCSCCc1ccccc1 62a_100000709357_100011218657 [1,1,0,0,0,0|2,0,0]=4 3877 B14R1.123 COCCCSCCc1ccccc1 62a_100000765856_100000709357 [1,1,0,0,0,0|2,0,0]=4 3878 B14R1.123 COCCNCCCc1ccccc1 2230a_100000209980_100000211621 [1,1,0,0,0,0|2,0,0]=4 3879 B14R1.123 COCCNCCCc1ccccc1 2230a_100000211184_100011201679 [1,1,0,0,0,0|2,0,0]=4 3880 B14R1.123 COCCNCCCc1ccccc1 34a_100000211184_100011201679 [1,1,0,0,0,0|2,0,0]=4 3881 B14R1.123 COCCNCCOc1ccccc1 2230a_100000174943_100011201679 [1,1,0,0,0,0|2,0,0]=4 3882 B14R1.123 COCCNCCOc1ccccc1 2230a_100000209980_100000184471 [1,1,0,0,0,0|2,0,0]=4 3883 B14R1.123 COCCNCCOc1ccccc1 270004a_100000209980_100000758736 [1,1,0,0,0,0|2,0,0]=4 3884 B14R1.123 COCCNCCOc1ccccc1 34a_100000174943_100011201679 [1,1,0,0,0,0|2,0,0]=4 3885 B14R1.123 COCCNCCSc1ccccc1 2230a_100000189519_100011201679 [1,1,0,0,0,0|2,0,0]=4 3886 B14R1.123 COCCNCCSc1ccccc1 2230a_100000209980_100000246102 [1,1,0,0,0,0|2,0,0]=4 3887 B14R1.123 COCCNCOCc1ccccc1 2230a_100000209980_100000763385 [1,1,0,0,0,0|2,0,0]=4 3888 B14R1.123 COCCNCSCc1ccccc1 2230a_100000209980_200011217039 [1,1,0,0,0,0|2,0,0]=4 3889 B14R1.123 CSCCCCCCc1ccccc1 62a_100011218729_200000210301 [1,1,0,0,0,0|2,0,0]=4 3890 B14R1.123 CSCCCCCCc1ccccc1 62a_200000210301_100011218729 [1,1,0,0,0,0|2,0,0]=4 3891 B14R1.123 CSCCCNCCc1ccccc1 2230a_100000749238_100000765856 [1,1,0,0,0,0|1,0,0]=3 3892 B14R1.123 CSCCCNCCc1ccccn1 2230a_100000749238_100015183660 [1,1,0,0,0,0|2,0,0]=4 3893 B14R1.123 CSCCCNCCc1cccnc1 2230a_100000749238_200011713674 [1,1,0,0,0,0|2,0,0]=4 3894 B14R1.123 CSCCCNCCc1ccncc1 2230a_100000749238_100000723409 [1,1,0,0,0,0|2,0,0]=4 3895 B14R1.123 CSCCCNCSc1ccccc1 2230a_100000749238_100011218342 [1,1,0,0,0,0|2,0,0]=4 3896 B14R1.123 CSCCCOCCc1ccccc1 34a_100000690336_100000765856 [1,1,0,0,0,0|2,0,0]=4 3897 B14R1.123 CSCCCOCCc1ccccc1 7a_100000690336_100000765856 [1,1,0,0,0,0|2,0,0]=4 3898 B14R1.123 CSCCNCCCc1ccccc1 2230a_100000211184_100000751147 [1,1,0,0,0,0|2,0,0]=4 3899 B14R1.123 CSCCNCCCc1ccccc1 2230a_100020590264_100000211621 [1,1,0,0,0,0|2,0,0]=4 3900 B14R1.123 CSCCNCCCc1ccccc1 34a_100000211184_100000212216 [1,1,0,0,0,0|2,0,0]=4 3901 B14R1.123 CSCCNCCOc1ccccc1 2230a_100000174943_100000751147 [1,1,0,0,0,0|2,0,0]=4 3902 B14R1.123 CSCCNCCOc1ccccc1 2230a_100020590264_100000184471 [1,1,0,0,0,0|2,0,0]=4 3903 B14R1.123 CSCCNCCOc1ccccc1 270004a_100020590264_100000758736 [1,1,0,0,0,0|2,0,0]=4 3904 B14R1.123 CSCCNCCOc1ccccc1 34a_100000174943_100000212216 [1,1,0,0,0,0|2,0,0]=4 3905 B14R1.123 CSCCNCCSc1ccccc1 2230a_100000189519_100000751147 [1,1,0,0,0,0|2,0,0]=4 3906 B14R1.123 CSCCNCCSc1ccccc1 2230a_100020590264_100000246102 [1,1,0,0,0,0|2,0,0]=4 3907 B14R1.123 CSCCNCOCc1ccccc1 2230a_100020590264_100000763385 [1,1,0,0,0,0|2,0,0]=4 3908 B14R1.123 CSCCNCSCc1ccccc1 2230a_100020590264_200011217039 [1,1,0,0,0,0|2,0,0]=4 3909 B14R1.123 ClCC#CCOCCc1ccccc1 34a_200000047223_100000765856 [1,1,0,0,0,0|1,0,1]=4 3910 B14R1.123 ClCCCCCOCc1ccccc1 34a_100000746330_100015291786 [1,1,0,0,0,0|1,0,0]=3 3911 B14R1.123 ClCCCCCOCc1ccccc1 7a_100000746330_100000211182 [1,1,0,0,0,0|1,0,0]=3 3912 B14R1.123 ClCCCCCOCc1ccccn1 34a_100000746330_100000721315 [1,1,0,0,0,0|2,0,0]=4 3913 B14R1.123 ClCCCCCOCc1ccccn1 7a_100000746330_100000721315 [1,1,0,0,0,0|2,0,0]=4 3914 B14R1.123 ClCCCCCOCc1cccnc1 34a_100000746330_100000733263 [1,1,0,0,0,0|2,0,0]=4 3915 B14R1.123 ClCCCCCOCc1cccnc1 7a_100000746330_100000741622 [1,1,0,0,0,0|2,0,0]=4 3916 B14R1.123 ClCCCCCOCc1ccncc1 7a_100000746330_100015193705 [1,1,0,0,0,0|2,0,0]=4 3917 B14R1.123 ClCCCCOCCc1ccccc1 34a_100000210776_100000765856 [1,1,0,0,0,0|1,0,0]=3 3918 B14R1.123 ClCCCCOCCc1ccccc1 7a_100000210776_100000765856 [1,1,0,0,0,0|1,0,0]=3 3919 B14R1.123 ClCCCCOCCc1ccccn1 7a_100000210776_100015183660 [1,1,0,0,0,0|2,0,0]=4 3920 B14R1.123 ClCCCCOCCc1cccnc1 7a_100000210776_200011713674 [1,1,0,0,0,0|2,0,0]=4 3921 B14R1.123 ClCCCCOCCc1ccncc1 7a_100000210776_100000723409 [1,1,0,0,0,0|2,0,0]=4 3922 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [1,1,0,0,0,0|1,0,1]=4 3923 B14R1.123 ClCCCOCC#Cc1ccccc1 34a_100000230001_100011352542 [1,1,0,0,0,0|1,0,1]=4 3924 B14R1.123 ClCCCOCCCc1ccccc1 34a_100000230001_100000211621 [1,1,0,0,0,0|1,0,0]=3 3925 B14R1.123 ClCCCOCCOc1ccccc1 34a_100000230001_100000184471 [1,1,0,0,0,0|1,0,0]=3 3926 B14R1.123 ClCCCOCCSc1ccccc1 34a_100000230001_100000246102 [1,1,0,0,0,0|1,0,0]=3 3927 B14R1.123 ClCCCOCOCc1ccccc1 34a_100000230001_100000763385 [1,1,0,0,0,0|1,0,0]=3 3928 B14R1.123 ClCCCOCSCc1ccccc1 34a_100000230001_200011217039 [1,1,0,0,0,0|1,0,0]=3 3929 B14R1.123 ClCCOCCOCc1ccccc1 34a_100011215305_100015291786 [1,1,0,0,0,0|2,0,0]=4 3930 B14R1.123 ClCCOCCOCc1ccccc1 7a_100011215305_100000211182 [1,1,0,0,0,0|2,0,0]=4 3931 B14R1.123 FCCCCCCNc1ccccc1 34a_100000106764_100015922095 [1,1,0,0,0,0|1,1,0]=4 3932 B14R1.123 FCCCCCCOc1ccccc1 34a_100000210340_100015922095 [1,1,0,0,0,0|1,1,0]=4 3933 B14R1.123 FCCCCCCOc1ccccc1 7a_100000210340_100015922095 [1,1,0,0,0,0|1,1,0]=4 3934 B14R1.123 FCCCCCCSc1ccccc1 62a_100000719477_100015922095 [1,1,0,0,0,0|1,1,0]=4 3935 B14R1.123 FCCCCCCSc1ccccc1 62a_100015922095_100000041952 [1,1,0,0,0,0|1,1,0]=4 3936 B14R1.123 FCCCCCNCc1ccccc1 2230a_100015324214_100000729378 [1,1,0,0,0,0|1,1,0]=4 3937 B14R1.123 FCCCCCNCc1ccccc1 34a_100015324214_100000729378 [1,1,0,0,0,0|1,1,0]=4 3938 B14R1.123 FCCCCCOCc1ccccc1 34a_100000210790_100000729378 [1,1,0,0,0,0|1,1,0]=4 3939 B14R1.123 FCCCCCOCc1ccccc1 7a_100000210790_100000729378 [1,1,0,0,0,0|1,1,0]=4 3940 B14R1.123 FCCCCCSCc1ccccc1 62a_100000211182_100000729378 [1,1,0,0,0,0|1,1,0]=4 3941 B14R1.123 FCCCCCSCc1ccccc1 62a_100000729378_100015291786 [1,1,0,0,0,0|1,1,0]=4 3942 B14R1.123 FCCCCNCCc1ccccc1 2230a_100000106460_100000729493 [1,1,0,0,0,0|0,1,0]=3 3943 B14R1.123 FCCCCNCCc1ccccc1 34a_100000106460_100000729493 [1,1,0,0,0,0|0,1,0]=3 3944 B14R1.123 FCCCCNCCc1cccnc1 2230a_100000736294_100000729493 [1,1,0,0,0,0|1,1,0]=4 3945 B14R1.123 FCCCCOCCc1ccccc1 34a_100000210268_100000729493 [1,1,0,0,0,0|1,1,0]=4 3946 B14R1.123 FCCCCOCCc1ccccc1 34a_100011995726_100000765856 [1,1,0,0,0,0|1,1,0]=4 3947 B14R1.123 FCCCCOCCc1ccccc1 7a_100000210268_100000729493 [1,1,0,0,0,0|1,1,0]=4 3948 B14R1.123 FCCCCOCCc1ccccc1 7a_100011995726_100000765856 [1,1,0,0,0,0|1,1,0]=4 3949 B14R1.123 FCCCCSCCc1ccccc1 62a_100000729493_100011218657 [1,1,0,0,0,0|1,1,0]=4 3950 B14R1.123 FCCCCSCCc1ccccc1 62a_100000765856_100000729493 [1,1,0,0,0,0|1,1,0]=4 3951 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [1,1,0,0,0,0|0,1,1]=4 3952 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [1,1,0,0,0,0|0,1,1]=4 3953 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [1,1,0,0,0,0|0,1,1]=4 3954 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [1,1,0,0,0,0|0,1,1]=4 3955 B14R1.123 FCCCNCC#Cc1ccccc1 2230a_100015189416_100011352542 [1,1,0,0,0,0|0,1,1]=4 3956 B14R1.123 FCCCNCC#Cc1ccccc1 34a_100000735379_100011934791 [1,1,0,0,0,0|0,1,1]=4 3957 B14R1.123 FCCCNCC#Cc1ccccc1 34a_100015189416_100011352542 [1,1,0,0,0,0|0,1,1]=4 3958 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [1,1,0,0,0,0|0,1,1]=4 3959 B14R1.123 FCCCNCCCc1ccccc1 2230a_100000211184_100011934791 [1,1,0,0,0,0|0,1,0]=3 3960 B14R1.123 FCCCNCCCc1ccccc1 2230a_100015189416_100000211621 [1,1,0,0,0,0|0,1,0]=3 3961 B14R1.123 FCCCNCCCc1ccccc1 34a_100000211184_100011934791 [1,1,0,0,0,0|0,1,0]=3 3962 B14R1.123 FCCCNCCCc1ccccc1 34a_100015189416_100000211621 [1,1,0,0,0,0|0,1,0]=3 3963 B14R1.123 FCCCNCCCc1cccnc1 2230a_100011532358_100011934791 [1,1,0,0,0,0|1,1,0]=4 3964 B14R1.123 FCCCNCCCc1cccnc1 34a_100011532358_100011934791 [1,1,0,0,0,0|1,1,0]=4 3965 B14R1.123 FCCCNCCCc1ccncc1 2230a_100011275580_100011934791 [1,1,0,0,0,0|1,1,0]=4 3966 B14R1.123 FCCCNCCOc1ccccc1 2230a_100000174943_100011934791 [1,1,0,0,0,0|0,1,0]=3 3967 B14R1.123 FCCCNCCOc1ccccc1 2230a_100015189416_100000184471 [1,1,0,0,0,0|0,1,0]=3 3968 B14R1.123 FCCCNCCOc1ccccc1 270004a_100015189416_100000758736 [1,1,0,0,0,0|0,1,0]=3 3969 B14R1.123 FCCCNCCOc1ccccc1 34a_100000174943_100011934791 [1,1,0,0,0,0|0,1,0]=3 3970 B14R1.123 FCCCNCCOc1ccccc1 34a_100015189416_100000184471 [1,1,0,0,0,0|0,1,0]=3 3971 B14R1.123 FCCCNCCOc1ccccn1 2230a_106741647558_100011934791 [1,1,0,0,0,0|1,1,0]=4 3972 B14R1.123 FCCCNCCOc1cccnc1 2230a_100000754688_100011934791 [1,1,0,0,0,0|1,1,0]=4 3973 B14R1.123 FCCCNCCSc1ccccc1 2230a_100000189519_100011934791 [1,1,0,0,0,0|0,1,0]=3 3974 B14R1.123 FCCCNCCSc1ccccc1 2230a_100015189416_100000246102 [1,1,0,0,0,0|0,1,0]=3 3975 B14R1.123 FCCCNCCSc1ccccc1 34a_100015189416_100000246102 [1,1,0,0,0,0|0,1,0]=3 3976 B14R1.123 FCCCNCOCc1ccccc1 2230a_100015189416_100000763385 [1,1,0,0,0,0|0,1,0]=3 3977 B14R1.123 FCCCNCOCc1ccccc1 34a_100015189416_100000763385 [1,1,0,0,0,0|0,1,0]=3 3978 B14R1.123 FCCCNCSCc1ccccc1 2230a_100015189416_200011217039 [1,1,0,0,0,0|0,1,0]=3 3979 B14R1.123 FCCCNCSCc1ccccc1 34a_100015189416_200011217039 [1,1,0,0,0,0|0,1,0]=3 3980 B14R1.123 FCCCOCCCc1ccccc1 34a_100000210828_100011934791 [1,1,0,0,0,0|1,1,0]=4 3981 B14R1.123 FCCCOCCCc1ccccc1 34a_100000759539_100000211621 [1,1,0,0,0,0|1,1,0]=4 3982 B14R1.123 FCCCOCCCc1ccccc1 7a_100000210828_100011934791 [1,1,0,0,0,0|1,1,0]=4 3983 B14R1.123 FCCCOCCNc1ccccc1 34a_100000211345_100011934791 [1,1,0,0,0,0|1,1,0]=4 3984 B14R1.123 FCCCOCCOc1ccccc1 34a_100000210260_100011934791 [1,1,0,0,0,0|1,1,0]=4 3985 B14R1.123 FCCCOCCOc1ccccc1 34a_100000759539_100000184471 [1,1,0,0,0,0|1,1,0]=4 3986 B14R1.123 FCCCOCCOc1ccccc1 7a_100000210260_100011934791 [1,1,0,0,0,0|1,1,0]=4 3987 B14R1.123 FCCCOCCSc1ccccc1 34a_100000759539_100000246102 [1,1,0,0,0,0|1,1,0]=4 3988 B14R1.123 FCCCOCCSc1ccccc1 7a_100000230494_100011934791 [1,1,0,0,0,0|1,1,0]=4 3989 B14R1.123 FCCCOCOCc1ccccc1 34a_100000759539_100000763385 [1,1,0,0,0,0|1,1,0]=4 3990 B14R1.123 FCCCOCSCc1ccccc1 34a_100000759539_200011217039 [1,1,0,0,0,0|1,1,0]=4 3991 B14R1.123 FCCCSCCCc1ccccc1 62a_100000211621_100011934791 [1,1,0,0,0,0|1,1,0]=4 3992 B14R1.123 FCCCSCCCc1ccccc1 62a_100011934791_100000211621 [1,1,0,0,0,0|1,1,0]=4 3993 B14R1.123 FCCCSCCOc1ccccc1 62a_100000184471_100011934791 [1,1,0,0,0,0|1,1,0]=4 3994 B14R1.123 FCCCSCCOc1ccccc1 62a_100011934791_100000184471 [1,1,0,0,0,0|1,1,0]=4 3995 B14R1.123 FCCCSCCSc1ccccc1 62a_100000246102_100011934791 [1,1,0,0,0,0|1,1,0]=4 3996 B14R1.123 FCCCSCCSc1ccccc1 62a_100011934791_100000246102 [1,1,0,0,0,0|1,1,0]=4 3997 B14R1.123 FCCCSCOCc1ccccc1 62a_100000763385_100011934791 [1,1,0,0,0,0|1,1,0]=4 3998 B14R1.123 FCCCSCOCc1ccccc1 62a_100011934791_100000763385 [1,1,0,0,0,0|1,1,0]=4 3999 B14R1.123 FCCCSCSCc1ccccc1 62a_100011934791_200011217039 [1,1,0,0,0,0|1,1,0]=4 4000 B14R1.123 FCCCSCSCc1ccccc1 62a_200011217039_100011934791 [1,1,0,0,0,0|1,1,0]=4 4001 B14R1.123 FCCNCCCCc1ccccc1 2230a_100015280158_100011217306 [1,1,0,0,0,0|1,1,0]=4 4002 B14R1.123 FCCNCCCCc1ccccc1 34a_100000724931_100000701786 [1,1,0,0,0,0|1,1,0]=4 4003 B14R1.123 FCCNCCCCc1ccccc1 34a_100015280158_100011217306 [1,1,0,0,0,0|1,1,0]=4 4004 B14R1.123 FCCOCCCCc1ccccc1 34a_100000703073_100011217306 [1,1,0,0,0,0|1,1,0]=4 4005 B14R1.123 FCCOCCCCc1ccccc1 7a_100000703073_100011217306 [1,1,0,0,0,0|1,1,0]=4 4006 B14R1.123 FCCSCCCCc1ccccc1 62a_100000701786_100011217306 [1,1,0,0,0,0|1,1,0]=4 4007 B14R1.123 FCCSCCCCc1ccccc1 62a_100011217306_100000701786 [1,1,0,0,0,0|1,1,0]=4 4008 B14R1.123 FCNCCCCCc1ccccc1 34a_100000750932_100015361967 [1,1,0,0,0,0|1,1,0]=4 4009 B14R1.123 FCOCCCCCc1ccccc1 34a_200011219639_100015361967 [1,1,0,0,0,0|1,1,0]=4 4010 B14R1.123 FCOCCCCCc1ccccc1 7a_200011219639_100015361967 [1,1,0,0,0,0|1,1,0]=4 4011 B14R1.123 FCSCCCCCc1ccccc1 62a_100015361967_200011217138 [1,1,0,0,0,0|1,1,0]=4 4012 B14R1.123 FCSCCCCCc1ccccc1 62a_200011217138_100015361967 [1,1,0,0,0,0|1,1,0]=4 4013 B14R1.123 ICCCCCOCc1ccccc1 34a_200012148887_100015291786 [1,1,0,0,0,0|1,1,0]=4 4014 B14R1.123 ICCCCCOCc1ccccc1 7a_200012148887_100000211182 [1,1,0,0,0,0|1,1,0]=4 4015 B14R1.123 ICCCCOCCc1ccccc1 34a_200012148704_100000765856 [1,1,0,0,0,0|1,1,0]=4 4016 B14R1.123 N#CCCCNCCc1ccccc1 2230a_100000106460_100000687738 [1,1,0,0,0,0|1,0,0]=3 4017 B14R1.123 N#CCCCNCCc1cccnc1 2230a_100000736294_100000687738 [1,1,0,0,0,0|2,0,0]=4 4018 B14R1.123 N#CCCCOCCc1ccccc1 7a_100000210268_100000687738 [1,1,0,0,0,0|2,0,0]=4 4019 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000687738_100011218657 [1,1,0,0,0,0|2,0,0]=4 4020 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000765856_100000687738 [1,1,0,0,0,0|2,0,0]=4 4021 B14R1.123 N#CCCNCCCc1ccccc1 2230a_100000211184_100011215226 [1,1,0,0,0,0|1,0,1]=4 4022 B14R1.123 N#CCCNCCOc1ccccc1 2230a_100000174943_100011215226 [1,1,0,0,0,0|1,0,1]=4 4023 B14R1.123 N#CCCNCCOc1ccccc1 270004a_100000720768_100000758736 [1,1,0,0,0,0|1,0,1]=4 4024 B14R1.123 N#CCCNCCSc1ccccc1 2230a_100000189519_100011215226 [1,1,0,0,0,0|1,0,1]=4 4025 B14R1.123 NCCCCCOCc1ccccc1 34a_100000762737_100015291786 [1,1,0,0,0,0|2,0,0]=4 4026 B14R1.123 NCCCCOCCc1ccccc1 34a_100000750430_100000765856 [1,1,0,0,0,0|2,0,0]=4 4027 B14R1.123 NCCCOCCCc1ccccc1 34a_100000182051_100000211621 [1,1,0,0,0,0|2,0,0]=4 4028 B14R1.123 NCCCOCCOc1ccccc1 34a_100000182051_100000184471 [1,1,0,0,0,0|2,0,0]=4 4029 B14R1.123 NCCCOCCSc1ccccc1 34a_100000182051_100000246102 [1,1,0,0,0,0|2,0,0]=4 4030 B14R1.123 NCCCOCOCc1ccccc1 34a_100000182051_100000763385 [1,1,0,0,0,0|2,0,0]=4 4031 B14R1.123 NCCCOCSCc1ccccc1 34a_100000182051_200011217039 [1,1,0,0,0,0|2,0,0]=4 4032 B14R1.123 NCCOCCCCc1ccccc1 34a_100000210304_100000701786 [1,1,0,0,0,0|2,0,0]=4 4033 B14R1.123 O=CCCCNCCc1ccccc1 2230a_100000106460_200011292268 [1,1,0,0,0,0|1,0,0]=3 4034 B14R1.123 O=CCCCNCCc1cccnc1 2230a_100000736294_200011292268 [1,1,0,0,0,0|2,0,0]=4 4035 B14R1.123 O=CCCCOCCc1ccccc1 7a_100000210268_200011292268 [1,1,0,0,0,0|2,0,0]=4 4036 B14R1.123 O=CCCCSCCc1ccccc1 62a_100000765856_200011292268 [1,1,0,0,0,0|2,0,0]=4 4037 B14R1.123 O=CCCCSCCc1ccccc1 62a_200011292268_100011218657 [1,1,0,0,0,0|2,0,0]=4 4038 B14R1.123 OCC#CCNCCc1ccccc1 2230a_100000106460_200000047223 [1,1,0,0,0,0|1,0,1]=4 4039 B14R1.123 OCC#CCNCCc1ccccc1 34a_100000106460_200000047223 [1,1,0,0,0,0|1,0,1]=4 4040 B14R1.123 OCCCCCCNc1ccccc1 34a_100000106764_100000766143 [1,1,0,0,0,0|2,0,0]=4 4041 B14R1.123 OCCCCCCOc1ccccc1 34a_100000210340_100000766143 [1,1,0,0,0,0|2,0,0]=4 4042 B14R1.123 OCCCCCCOc1ccccc1 7a_100000210340_100000766143 [1,1,0,0,0,0|2,0,0]=4 4043 B14R1.123 OCCCCCCSc1ccccc1 62a_100000719477_100000766143 [1,1,0,0,0,0|2,0,0]=4 4044 B14R1.123 OCCCCCCSc1ccccc1 62a_100000766143_100000041952 [1,1,0,0,0,0|2,0,0]=4 4045 B14R1.123 OCCCCCNCc1ccccc1 207a_100000762737_100015611070 [1,1,0,0,0,0|2,0,0]=4 4046 B14R1.123 OCCCCCNCc1ccccc1 2230a_100000762737_100015291786 [1,1,0,0,0,0|2,0,0]=4 4047 B14R1.123 OCCCCCNCc1ccccc1 2230a_100015324214_100000746330 [1,1,0,0,0,0|2,0,0]=4 4048 B14R1.123 OCCCCCNCc1ccccc1 270004a_100000762737_100015611070 [1,1,0,0,0,0|2,0,0]=4 4049 B14R1.123 OCCCCCNCc1ccccc1 34a_100000762737_100015291786 [1,1,0,0,0,0|2,0,0]=4 4050 B14R1.123 OCCCCCNCc1ccccc1 34a_100015324214_100000746330 [1,1,0,0,0,0|2,0,0]=4 4051 B14R1.123 OCCCCCOCc1ccccc1 34a_100000210790_100000746330 [1,1,0,0,0,0|2,0,0]=4 4052 B14R1.123 OCCCCCOCc1ccccc1 7a_100000210790_100000746330 [1,1,0,0,0,0|2,0,0]=4 4053 B14R1.123 OCCCCCSCc1ccccc1 62a_100000211182_100000746330 [1,1,0,0,0,0|2,0,0]=4 4054 B14R1.123 OCCCCCSCc1ccccc1 62a_100000746330_100015291786 [1,1,0,0,0,0|2,0,0]=4 4055 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000106460_100000210776 [1,1,0,0,0,0|1,0,0]=3 4056 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000750430_100000765856 [1,1,0,0,0,0|1,0,0]=3 4057 B14R1.123 OCCCCNCCc1ccccc1 34a_100000106460_100011216708 [1,1,0,0,0,0|1,0,0]=3 4058 B14R1.123 OCCCCNCCc1ccccc1 34a_100000750430_100000765856 [1,1,0,0,0,0|1,0,0]=3 4059 B14R1.123 OCCCCNCCc1ccccn1 2230a_100000750430_100015183660 [1,1,0,0,0,0|2,0,0]=4 4060 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000736294_100000210776 [1,1,0,0,0,0|2,0,0]=4 4061 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000750430_200011713674 [1,1,0,0,0,0|2,0,0]=4 4062 B14R1.123 OCCCCNCCc1ccncc1 2230a_100000750430_100000723409 [1,1,0,0,0,0|2,0,0]=4 4063 B14R1.123 OCCCCNCSc1ccccc1 2230a_100000750430_100011218342 [1,1,0,0,0,0|2,0,0]=4 4064 B14R1.123 OCCCCOCCc1ccccc1 34a_100000210268_100011216708 [1,1,0,0,0,0|2,0,0]=4 4065 B14R1.123 OCCCCOCCc1ccccc1 7a_100000210268_100000210776 [1,1,0,0,0,0|2,0,0]=4 4066 B14R1.123 OCCCCSCCc1ccccc1 62a_100000210776_100011218657 [1,1,0,0,0,0|2,0,0]=4 4067 B14R1.123 OCCCCSCCc1ccccc1 62a_100000765856_100000210776 [1,1,0,0,0,0|2,0,0]=4 4068 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [1,1,0,0,0,0|1,0,1]=4 4069 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [1,1,0,0,0,0|1,0,1]=4 4070 B14R1.123 OCCCNCC#Cc1ccccc1 34a_100000735379_100000230001 [1,1,0,0,0,0|1,0,1]=4 4071 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [1,1,0,0,0,0|1,0,1]=4 4072 B14R1.123 OCCCNCCCc1ccccc1 2230a_100000211184_100000230001 [1,1,0,0,0,0|1,0,0]=3 4073 B14R1.123 OCCCNCCCc1ccccc1 34a_100000211184_100000230001 [1,1,0,0,0,0|1,0,0]=3 4074 B14R1.123 OCCCNCCCc1cccnc1 2230a_100011532358_100000230001 [1,1,0,0,0,0|2,0,0]=4 4075 B14R1.123 OCCCNCCCc1cccnc1 34a_100011532358_100000230001 [1,1,0,0,0,0|2,0,0]=4 4076 B14R1.123 OCCCNCCCc1ccncc1 2230a_100011275580_100000230001 [1,1,0,0,0,0|2,0,0]=4 4077 B14R1.123 OCCCNCCOc1ccccc1 2230a_100000174943_100000230001 [1,1,0,0,0,0|1,0,0]=3 4078 B14R1.123 OCCCNCCOc1ccccc1 270004a_100000182051_100000758736 [1,1,0,0,0,0|1,0,0]=3 4079 B14R1.123 OCCCNCCOc1ccccc1 34a_100000174943_100000230001 [1,1,0,0,0,0|1,0,0]=3 4080 B14R1.123 OCCCNCCOc1ccccn1 2230a_106741647558_100000230001 [1,1,0,0,0,0|2,0,0]=4 4081 B14R1.123 OCCCNCCOc1cccnc1 2230a_100000754688_100000230001 [1,1,0,0,0,0|2,0,0]=4 4082 B14R1.123 OCCCNCCSc1ccccc1 2230a_100000189519_100000230001 [1,1,0,0,0,0|1,0,0]=3 4083 B14R1.123 OCCCOCCCc1ccccc1 34a_100000210828_100000230001 [1,1,0,0,0,0|2,0,0]=4 4084 B14R1.123 OCCCOCCCc1ccccc1 7a_100000210828_100011215043 [1,1,0,0,0,0|2,0,0]=4 4085 B14R1.123 OCCCOCCNc1ccccc1 34a_100000211345_100000230001 [1,1,0,0,0,0|2,0,0]=4 4086 B14R1.123 OCCCOCCOc1ccccc1 34a_100000210260_100000230001 [1,1,0,0,0,0|2,0,0]=4 4087 B14R1.123 OCCCOCCOc1ccccc1 7a_100000210260_100011215043 [1,1,0,0,0,0|2,0,0]=4 4088 B14R1.123 OCCCOCCSc1ccccc1 7a_100000230494_100011215043 [1,1,0,0,0,0|2,0,0]=4 4089 B14R1.123 OCCCSCCCc1ccccc1 62a_100000211621_100011215043 [1,1,0,0,0,0|2,0,0]=4 4090 B14R1.123 OCCCSCCCc1ccccc1 62a_100011215043_100000211621 [1,1,0,0,0,0|2,0,0]=4 4091 B14R1.123 OCCCSCCOc1ccccc1 62a_100000184471_100011215043 [1,1,0,0,0,0|2,0,0]=4 4092 B14R1.123 OCCCSCCOc1ccccc1 62a_100011215043_100000184471 [1,1,0,0,0,0|2,0,0]=4 4093 B14R1.123 OCCCSCCSc1ccccc1 62a_100000246102_100011215043 [1,1,0,0,0,0|2,0,0]=4 4094 B14R1.123 OCCCSCCSc1ccccc1 62a_100011215043_100000246102 [1,1,0,0,0,0|2,0,0]=4 4095 B14R1.123 OCCCSCOCc1ccccc1 62a_100000763385_100011215043 [1,1,0,0,0,0|2,0,0]=4 4096 B14R1.123 OCCCSCOCc1ccccc1 62a_100011215043_100000763385 [1,1,0,0,0,0|2,0,0]=4 4097 B14R1.123 OCCCSCSCc1ccccc1 62a_100011215043_200011217039 [1,1,0,0,0,0|2,0,0]=4 4098 B14R1.123 OCCCSCSCc1ccccc1 62a_200011217039_100011215043 [1,1,0,0,0,0|2,0,0]=4 4099 B14R1.123 OCCNCCCCc1ccccc1 2230a_100015280158_100000211926 [1,1,0,0,0,0|2,0,0]=4 4100 B14R1.123 OCCNCCCCc1ccccc1 2230a_100016997473_100000701786 [1,1,0,0,0,0|2,0,0]=4 4101 B14R1.123 OCCNCCCCc1ccccc1 34a_100015280158_100000211926 [1,1,0,0,0,0|2,0,0]=4 4102 B14R1.123 OCCNCCCCc1ccccc1 34a_100016990907_100000701786 [1,1,0,0,0,0|2,0,0]=4 4103 B14R1.123 OCCOCCCCc1ccccc1 34a_100000703073_100000211926 [1,1,0,0,0,0|2,0,0]=4 4104 B14R1.123 OCCOCCCCc1ccccc1 7a_100000703073_100000211926 [1,1,0,0,0,0|2,0,0]=4 4105 B14R1.123 OCCSCCCCc1ccccc1 62a_100000211926_100000701786 [1,1,0,0,0,0|2,0,0]=4 4106 B14R1.123 OCCSCCCCc1ccccc1 62a_100000701786_100000211926 [1,1,0,0,0,0|2,0,0]=4 4107 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [1,1,0,0,0,0|2,0,0]=4 4108 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [1,1,0,0,0,0|2,0,0]=4 4109 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_100011218729_200025704644 [1,1,0,0,0,0|2,0,0]=4 4110 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_200025704644_100011218729 [1,1,0,0,0,0|2,0,0]=4 4111 B14R1.156 C#CCCN(C)CCc1ccccc1 2230a_100000207497_100000688953 [1,1,0,0,0,0|1,0,1]=4 4112 B14R1.156 C#CCCN(C)CCc1ccccc1 269982a_100000207497_100000730999 [1,1,0,0,0,0|1,0,1]=4 4113 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100000207497_100000754431 [1,1,0,0,0,0|1,0,1]=4 4114 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100020639649_100000765856 [1,1,0,0,0,0|1,0,1]=4 4115 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100000207497_100000754431 [1,1,0,0,0,0|1,0,1]=4 4116 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100020639649_100000765856 [1,1,0,0,0,0|1,0,1]=4 4117 B14R1.156 CC(CCCCl)OCc1ccccc1 34a_200000718107_100015291786 [1,1,0,0,0,0|2,0,0]=4 4118 B14R1.156 CC(CCCCl)OCc1ccccc1 7a_200000718107_100000211182 [1,1,0,0,0,0|2,0,0]=4 4119 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [1,1,0,0,0,0|2,0,0]=4 4120 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [1,1,0,0,0,0|2,0,0]=4 4121 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [1,1,0,0,0,0|1,0,0]=3 4122 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [1,1,0,0,0,0|1,0,0]=3 4123 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [1,1,0,0,0,0|1,0,0]=3 4124 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [1,1,0,0,0,0|1,0,0]=3 4125 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000207549_100015183660 [1,1,0,0,0,0|2,0,0]=4 4126 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000737206_100000210211 [1,1,0,0,0,0|2,0,0]=4 4127 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000207549_100015183660 [1,1,0,0,0,0|2,0,0]=4 4128 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000737206_100000210211 [1,1,0,0,0,0|2,0,0]=4 4129 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000207549_200011713674 [1,1,0,0,0,0|2,0,0]=4 4130 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000763209_100000210211 [1,1,0,0,0,0|2,0,0]=4 4131 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000207549_200011713674 [1,1,0,0,0,0|2,0,0]=4 4132 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000763209_100000210211 [1,1,0,0,0,0|2,0,0]=4 4133 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000207549_100000723409 [1,1,0,0,0,0|2,0,0]=4 4134 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000742850_100000210211 [1,1,0,0,0,0|2,0,0]=4 4135 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000207549_100000723409 [1,1,0,0,0,0|2,0,0]=4 4136 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000742850_100000210211 [1,1,0,0,0,0|2,0,0]=4 4137 B14R1.156 CCCCN(C)CSc1ccccc1 2230a_100000207549_100011218342 [1,1,0,0,0,0|2,0,0]=4 4138 B14R1.156 CCCCN(C)CSc1ccccc1 269982a_100000207549_100011218342 [1,1,0,0,0,0|2,0,0]=4 4139 B14R1.156 CCOCN(C)CCc1ccccc1 269982a_100000207497_100000739092 [1,1,0,0,0,0|2,0,0]=4 4140 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000184479_100000765856 [1,1,0,0,0,0|1,0,1]=4 4141 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000207497_100011215226 [1,1,0,0,0,0|1,0,1]=4 4142 B14R1.156 CN(CCC#N)CCc1ccccc1 269982a_100000207497_100011215226 [1,1,0,0,0,0|1,0,1]=4 4143 B14R1.156 CN(CCCF)CCc1ccccc1 2230a_100000207497_100011934791 [1,1,0,0,0,0|0,1,0]=3 4144 B14R1.156 CN(CCCF)CCc1ccccc1 269982a_100000207497_100011934791 [1,1,0,0,0,0|0,1,0]=3 4145 B14R1.156 CN(CCCF)CCc1ccccn1 2230a_100000737206_100011934791 [1,1,0,0,0,0|1,1,0]=4 4146 B14R1.156 CN(CCCF)CCc1ccccn1 269982a_100000737206_100011934791 [1,1,0,0,0,0|1,1,0]=4 4147 B14R1.156 CN(CCCF)CCc1cccnc1 2230a_100000763209_100011934791 [1,1,0,0,0,0|1,1,0]=4 4148 B14R1.156 CN(CCCF)CCc1cccnc1 269982a_100000763209_100011934791 [1,1,0,0,0,0|1,1,0]=4 4149 B14R1.156 CN(CCCF)CCc1ccncc1 2230a_100000742850_100011934791 [1,1,0,0,0,0|1,1,0]=4 4150 B14R1.156 CN(CCCF)CCc1ccncc1 269982a_100000742850_100011934791 [1,1,0,0,0,0|1,1,0]=4 4151 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000207497_100000230001 [1,1,0,0,0,0|1,0,0]=3 4152 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000213112_100000765856 [1,1,0,0,0,0|1,0,0]=3 4153 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000207497_100011215043 [1,1,0,0,0,0|1,0,0]=3 4154 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000213112_100000765856 [1,1,0,0,0,0|1,0,0]=3 4155 B14R1.156 CN(CCCO)CCc1ccccn1 2230a_100000213112_100015183660 [1,1,0,0,0,0|2,0,0]=4 4156 B14R1.156 CN(CCCO)CCc1ccccn1 2230a_100000737206_100000230001 [1,1,0,0,0,0|2,0,0]=4 4157 B14R1.156 CN(CCCO)CCc1ccccn1 269982a_100000213112_100015183660 [1,1,0,0,0,0|2,0,0]=4 4158 B14R1.156 CN(CCCO)CCc1ccccn1 269982a_100000737206_100011215043 [1,1,0,0,0,0|2,0,0]=4 4159 B14R1.156 CN(CCCO)CCc1cccnc1 2230a_100000213112_200011713674 [1,1,0,0,0,0|2,0,0]=4 4160 B14R1.156 CN(CCCO)CCc1cccnc1 2230a_100000763209_100000230001 [1,1,0,0,0,0|2,0,0]=4 4161 B14R1.156 CN(CCCO)CCc1cccnc1 269982a_100000213112_200011713674 [1,1,0,0,0,0|2,0,0]=4 4162 B14R1.156 CN(CCCO)CCc1cccnc1 269982a_100000763209_100011215043 [1,1,0,0,0,0|2,0,0]=4 4163 B14R1.156 CN(CCCO)CCc1ccncc1 2230a_100000213112_100000723409 [1,1,0,0,0,0|2,0,0]=4 4164 B14R1.156 CN(CCCO)CCc1ccncc1 2230a_100000742850_100000230001 [1,1,0,0,0,0|2,0,0]=4 4165 B14R1.156 CN(CCCO)CCc1ccncc1 269982a_100000213112_100000723409 [1,1,0,0,0,0|2,0,0]=4 4166 B14R1.156 CN(CCCO)CCc1ccncc1 269982a_100000742850_100011215043 [1,1,0,0,0,0|2,0,0]=4 4167 B14R1.156 CN(CCCO)CSc1ccccc1 2230a_100000213112_100011218342 [1,1,0,0,0,0|2,0,0]=4 4168 B14R1.156 CN(CCCO)CSc1ccccc1 269982a_100000213112_100011218342 [1,1,0,0,0,0|2,0,0]=4 4169 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 4170 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000207497_100011201679 [1,1,0,0,0,0|2,0,0]=4 4171 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000743101_100000765856 [1,1,0,0,0,0|2,0,0]=4 4172 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000207497_100000233755 [1,1,0,0,0,0|2,0,0]=4 4174 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000743101_100000765856 [1,1,0,0,0,0|2,0,0]=4 4175 B14R1.156 COCCN(C)CCc1ccccc1 34a_100000200122_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B14R1.156 COCCN([13CH3])CCc1ccccc1 2230a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 4177 B14R1.156 COCCN([13CH3])CCc1ccccc1 269982a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 4178 B14R1.156 COCCN([13CH3])CCc1ccccc1 34a_100000200122_200025704644 [1,1,0,0,0,0|2,0,0]=4 4179 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000207497_100000751147 [1,1,0,0,0,0|2,0,0]=4 4180 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000686725_100000765856 [1,1,0,0,0,0|2,0,0]=4 4181 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000207497_100000212216 [1,1,0,0,0,0|2,0,0]=4 4182 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000686725_100000765856 [1,1,0,0,0,0|2,0,0]=4 4183 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [1,1,0,0,0,0|1,1,0]=4 4184 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [1,1,0,0,0,0|2,0,0]=4 4185 B14R1.422 C=C(C)CCNCCc1ccccc1 2230a_100000106460_100000730704 [1,1,0,0,0,0|1,0,1]=4 4186 B14R1.422 C=C(C)CCNCCc1ccccc1 34a_100000106460_100000730704 [1,1,0,0,0,0|1,0,1]=4 4187 B14R1.422 CC(Br)CCOCCc1ccccc1 34a_100009893172_100000765856 [1,1,0,0,0,0|1,1,0]=4 4188 B14R1.422 CC(C)CCNCCc1ccccc1 2230a_100000106460_100000210312 [1,1,0,0,0,0|1,0,0]=3 4189 B14R1.422 CC(C)CCNCCc1ccccc1 269862a_100000106460_100000185833 [1,1,0,0,0,0|1,0,0]=3 4190 B14R1.422 CC(C)CCNCCc1ccccc1 34a_100000106460_100000210312 [1,1,0,0,0,0|1,0,0]=3 4191 B14R1.422 CC(C)CCNCCc1ccccn1 269862a_100000211156_100000185833 [1,1,0,0,0,0|2,0,0]=4 4192 B14R1.422 CC(C)CCNCCc1cccnc1 2230a_100000736294_100000210312 [1,1,0,0,0,0|2,0,0]=4 4193 B14R1.422 CC(C)CCNCCc1cccnc1 269862a_100000736294_100000185833 [1,1,0,0,0,0|2,0,0]=4 4194 B14R1.422 CC(C)CCNCCc1ccncc1 269862a_100000742849_100000185833 [1,1,0,0,0,0|2,0,0]=4 4195 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [1,1,0,0,0,0|2,0,0]=4 4196 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [1,1,0,0,0,0|2,0,0]=4 4197 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [1,1,0,0,0,0|2,0,0]=4 4198 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [1,1,0,0,0,0|2,0,0]=4 4199 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000210312_100011218657 [1,1,0,0,0,0|2,0,0]=4 4200 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000765856_100000210312 [1,1,0,0,0,0|2,0,0]=4 4201 B14R1.422 CC(C)OCNCCc1ccccc1 2230a_100000106460_100000709892 [1,1,0,0,0,0|2,0,0]=4 4202 B14R1.422 CC(C)OCNCCc1ccccc1 34a_100000106460_100000709892 [1,1,0,0,0,0|2,0,0]=4 4203 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_100000106460_100012276601 [1,1,0,0,0,0|1,0,0]=3 4204 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_200000755665_100000765856 [1,1,0,0,0,0|1,0,0]=3 4205 B14R1.422 CC(O)CCNCCc1ccccc1 34a_100000106460_100012276601 [1,1,0,0,0,0|1,0,0]=3 4206 B14R1.422 CC(O)CCNCCc1ccccn1 2230a_200000755665_100015183660 [1,1,0,0,0,0|2,0,0]=4 4207 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_100000736294_100012276601 [1,1,0,0,0,0|2,0,0]=4 4208 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_200000755665_200011713674 [1,1,0,0,0,0|2,0,0]=4 4209 B14R1.422 CC(O)CCNCCc1ccncc1 2230a_200000755665_100000723409 [1,1,0,0,0,0|2,0,0]=4 4210 B14R1.422 CC(O)CCNCSc1ccccc1 2230a_200000755665_100011218342 [1,1,0,0,0,0|2,0,0]=4 4211 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [1,1,0,0,0,0|2,0,0]=4 4212 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [1,1,0,0,0,0|2,0,0]=4 4213 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100000765856_100012276601 [1,1,0,0,0,0|2,0,0]=4 4214 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100012276601_100011218657 [1,1,0,0,0,0|2,0,0]=4 4215 B14R1.422 C[C@@H](Cl)COCCCc1ccccc1 34a_100016084084_100000211621 [1,1,0,0,0,0|2,0,0]=4 4216 B14R1.422 C[C@@H](N)CCOCCc1ccccc1 34a_100000706166_100000765856 [1,1,0,0,0,0|2,0,0]=4 4217 B14R1.422 FC(F)CCOCCc1ccccc1 34a_100103093639_100000765856 [1,1,0,0,0,0|1,1,0]=4 4218 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [1,1,0,0,0,0|1,0,1]=4 4219 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [1,1,0,0,0,0|1,0,1]=4 4220 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [1,1,0,0,0,0|1,0,1]=4 4221 B14R1.520 CC(CCBr)OCCc1ccccc1 34a_100012276601_100000765856 [1,1,0,0,0,0|1,1,0]=4 4222 B14R1.520 CC(CCO)NCCc1ccccc1 2230a_100000106460_100009893172 [1,1,0,0,0,0|1,0,0]=3 4223 B14R1.520 CC(CCO)NCCc1ccccc1 34a_100000106460_100009893172 [1,1,0,0,0,0|1,0,0]=3 4224 B14R1.520 CC(CCO)NCCc1cccnc1 2230a_100000736294_100009893172 [1,1,0,0,0,0|2,0,0]=4 4225 B14R1.520 CC(CCO)OCCc1ccccc1 34a_100000210268_100009893172 [1,1,0,0,0,0|2,0,0]=4 4226 B14R1.520 CC(CCO)OCCc1ccccc1 7a_100000210268_100009893172 [1,1,0,0,0,0|2,0,0]=4 4227 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100000765856_100009893172 [1,1,0,0,0,0|2,0,0]=4 4228 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100009893172_100011218657 [1,1,0,0,0,0|2,0,0]=4 4229 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [1,1,0,0,0,0|1,0,1]=4 4230 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [1,1,0,0,0,0|1,0,1]=4 4231 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [1,1,0,0,0,0|1,0,1]=4 4232 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [1,1,0,0,0,0|1,0,1]=4 4233 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [1,1,0,0,0,0|1,0,0]=3 4234 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [1,1,0,0,0,0|1,0,0]=3 4235 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [1,1,0,0,0,0|1,0,0]=3 4236 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [1,1,0,0,0,0|1,0,0]=3 4237 B14R1.520 CCCC(C)NCCc1ccccn1 2230a_100000741246_100015183660 [1,1,0,0,0,0|2,0,0]=4 4238 B14R1.520 CCCC(C)NCCc1ccccn1 270004a_100000211156_100000211909 [1,1,0,0,0,0|2,0,0]=4 4239 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000736294_100000766640 [1,1,0,0,0,0|2,0,0]=4 4240 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000741246_200011713674 [1,1,0,0,0,0|2,0,0]=4 4241 B14R1.520 CCCC(C)NCCc1cccnc1 270004a_100000736294_100000211909 [1,1,0,0,0,0|2,0,0]=4 4242 B14R1.520 CCCC(C)NCCc1ccncc1 2230a_100000741246_100000723409 [1,1,0,0,0,0|2,0,0]=4 4243 B14R1.520 CCCC(C)NCCc1ccncc1 270004a_100000742849_100000211909 [1,1,0,0,0,0|2,0,0]=4 4244 B14R1.520 CCCC(C)NCSc1ccccc1 2230a_100000741246_100011218342 [1,1,0,0,0,0|2,0,0]=4 4245 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000210268_100000766640 [1,1,0,0,0,0|2,0,0]=4 4246 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000764384_100000765856 [1,1,0,0,0,0|2,0,0]=4 4247 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000210268_100000766640 [1,1,0,0,0,0|2,0,0]=4 4248 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000764384_100000765856 [1,1,0,0,0,0|2,0,0]=4 4249 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000765856_100000766640 [1,1,0,0,0,0|2,0,0]=4 4250 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000766640_100011218657 [1,1,0,0,0,0|2,0,0]=4 4251 B14R1.520 COCC(C)NCCc1ccccc1 2230a_100000106460_100000765312 [1,1,0,0,0,0|2,0,0]=4 4252 B14R1.520 COCC(C)NCCc1ccccc1 270004a_100000106460_100000749346 [1,1,0,0,0,0|2,0,0]=4 4253 B14R1.520 COCC(C)NCCc1ccccc1 34a_100000106460_100000765312 [1,1,0,0,0,0|2,0,0]=4 4254 B14R1.520 COC[C@@H](C)NCCc1ccccc1 2230a_100000764878_100000765856 [1,1,0,0,0,0|2,0,0]=4 4255 B14R1.520 CSCC(C)NCCc1ccccc1 270004a_100000106460_100011216314 [1,1,0,0,0,0|2,0,0]=4 4256 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [1,1,0,0,0,0|1,0,1]=4 4257 B14R1.520 C[C@H](CCO)NCCc1ccccc1 2230a_100000706166_100000765856 [1,1,0,0,0,0|1,0,0]=3 4258 B14R1.520 C[C@H](CCO)NCCc1ccccc1 34a_100000706166_100000765856 [1,1,0,0,0,0|1,0,0]=3 4259 B14R1.520 C[C@H](CCO)NCCc1ccccn1 2230a_100000706166_100015183660 [1,1,0,0,0,0|2,0,0]=4 4260 B14R1.520 C[C@H](CCO)NCCc1cccnc1 2230a_100000706166_200011713674 [1,1,0,0,0,0|2,0,0]=4 4261 B14R1.520 C[C@H](CCO)NCCc1ccncc1 2230a_100000706166_100000723409 [1,1,0,0,0,0|2,0,0]=4 4262 B14R1.520 C[C@H](CCO)NCSc1ccccc1 2230a_100000706166_100011218342 [1,1,0,0,0,0|2,0,0]=4 4263 B14R1.520 O=C(CCO)NCCc1ccccc1 240690a_100000106460_100011216618 [1,1,0,0,0,0|1,0,1]=4 4264 B14R1.716 C=CC(O)CNCCc1ccccc1 2230a_100000106460_100000730141 [1,1,0,0,0,0|1,0,1]=4 4265 B14R1.716 C=CC(O)CNCCc1ccccc1 34a_100000106460_100000730141 [1,1,0,0,0,0|1,0,1]=4 4266 B14R1.716 CC(CN)COCCc1ccccc1 34a_100000744482_100000765856 [1,1,0,0,0,0|2,0,0]=4 4267 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [1,1,0,0,0,0|1,0,0]=3 4268 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [1,1,0,0,0,0|1,0,0]=3 4269 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [1,1,0,0,0,0|1,0,0]=3 4270 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [1,1,0,0,0,0|1,0,0]=3 4271 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [1,1,0,0,0,0|1,0,0]=3 4272 B14R1.716 CCC(C)CNCCc1ccccn1 2230a_100020588543_100015183660 [1,1,0,0,0,0|2,0,0]=4 4273 B14R1.716 CCC(C)CNCCc1ccccn1 270004a_100000211156_100000243153 [1,1,0,0,0,0|2,0,0]=4 4274 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100000736294_100000748023 [1,1,0,0,0,0|2,0,0]=4 4275 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100020588543_200011713674 [1,1,0,0,0,0|2,0,0]=4 4276 B14R1.716 CCC(C)CNCCc1cccnc1 270004a_100000736294_100000243153 [1,1,0,0,0,0|2,0,0]=4 4277 B14R1.716 CCC(C)CNCCc1ccncc1 2230a_100020588543_100000723409 [1,1,0,0,0,0|2,0,0]=4 4278 B14R1.716 CCC(C)CNCCc1ccncc1 270004a_100000742849_100000243153 [1,1,0,0,0,0|2,0,0]=4 4279 B14R1.716 CCC(C)CNCSc1ccccc1 2230a_100020588543_100011218342 [1,1,0,0,0,0|2,0,0]=4 4280 B14R1.716 CCC(C)COCCc1ccccc1 34a_100000210268_100000748023 [1,1,0,0,0,0|2,0,0]=4 4281 B14R1.716 CCC(C)COCCc1ccccc1 7a_100000210268_100000748023 [1,1,0,0,0,0|2,0,0]=4 4282 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000748023_100011218657 [1,1,0,0,0,0|2,0,0]=4 4283 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000765856_100000748023 [1,1,0,0,0,0|2,0,0]=4 4284 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100000106460_100011218378 [1,1,0,0,0,0|1,0,0]=3 4285 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100011218483_100000765856 [1,1,0,0,0,0|1,0,0]=3 4286 B14R1.716 CCC(O)CNCCc1ccccc1 34a_100000106460_100011218378 [1,1,0,0,0,0|1,0,0]=3 4287 B14R1.716 CCC(O)CNCCc1ccccn1 2230a_100011218483_100015183660 [1,1,0,0,0,0|2,0,0]=4 4288 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100000736294_100011218378 [1,1,0,0,0,0|2,0,0]=4 4289 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100011218483_200011713674 [1,1,0,0,0,0|2,0,0]=4 4290 B14R1.716 CCC(O)CNCCc1ccncc1 2230a_100011218483_100000723409 [1,1,0,0,0,0|2,0,0]=4 4291 B14R1.716 CCC(O)CNCSc1ccccc1 2230a_100011218483_100011218342 [1,1,0,0,0,0|2,0,0]=4 4292 B14R1.716 CCC(O)COCCc1ccccc1 34a_100000210268_100011218378 [1,1,0,0,0,0|2,0,0]=4 4293 B14R1.716 CCC(O)COCCc1ccccc1 7a_100000210268_100011218378 [1,1,0,0,0,0|2,0,0]=4 4294 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100000765856_100011218378 [1,1,0,0,0,0|2,0,0]=4 4295 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100011218378_100011218657 [1,1,0,0,0,0|2,0,0]=4 4296 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [1,1,0,0,0,0|1,0,0]=3 4297 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [1,1,0,0,0,0|1,0,0]=3 4298 B14R1.716 CC[C@H](C)CNCCc1cccnc1 2230a_100000736294_100009816398 [1,1,0,0,0,0|2,0,0]=4 4299 B14R1.716 CC[C@H](C)COCCc1ccccc1 34a_100000210268_100009816398 [1,1,0,0,0,0|2,0,0]=4 4300 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100000210268_100009816398 [1,1,0,0,0,0|2,0,0]=4 4301 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100009816381_100000765856 [1,1,0,0,0,0|2,0,0]=4 4302 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100000765856_100009816398 [1,1,0,0,0,0|2,0,0]=4 4303 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100009816398_100011218657 [1,1,0,0,0,0|2,0,0]=4 4304 B14R1.716 CO[C@H](C)CNCCc1ccccc1 2230a_100020591295_100000765856 [1,1,0,0,0,0|2,0,0]=4 4305 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [1,1,0,0,0,0|1,0,0]=3 4306 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [1,1,0,0,0,0|1,0,0]=3 4307 B14R1.716 C[C@@H](CO)CNCCc1cccnc1 2230a_100000736294_100000059175 [1,1,0,0,0,0|2,0,0]=4 4308 B14R1.716 C[C@@H](CO)COCCc1ccccc1 34a_100000210268_100000059175 [1,1,0,0,0,0|2,0,0]=4 4309 B14R1.716 C[C@@H](CO)COCCc1ccccc1 7a_100000210268_100000059175 [1,1,0,0,0,0|2,0,0]=4 4310 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000059175_100011218657 [1,1,0,0,0,0|2,0,0]=4 4311 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000765856_100000059175 [1,1,0,0,0,0|2,0,0]=4 4312 B14R1.716 ClCC(Cl)COCCc1ccccc1 34a_100000033668_100000765856 [1,1,0,0,0,0|1,0,0]=3 4313 B14R1.716 NC[C@@H](F)COCCc1ccccc1 34a_100015665980_100000765856 [1,1,0,0,0,0|2,0,0]=4 4314 B14R1.716 OCC(O)CNCCc1ccccc1 2230a_100000106460_100011219619 [1,1,0,0,0,0|1,0,0]=3 4315 B14R1.716 OCC(O)CNCCc1ccccc1 34a_100000106460_100011219619 [1,1,0,0,0,0|1,0,0]=3 4316 B14R1.716 OCC(O)CNCCc1cccnc1 2230a_100000736294_100011219619 [1,1,0,0,0,0|2,0,0]=4 4317 B14R1.716 OCC(O)COCCc1ccccc1 34a_100000210268_100011219619 [1,1,0,0,0,0|2,0,0]=4 4318 B14R1.716 OCC(O)COCCc1ccccc1 7a_100000210268_100011219619 [1,1,0,0,0,0|2,0,0]=4 4319 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100000765856_100011219619 [1,1,0,0,0,0|2,0,0]=4 4320 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100011219619_100011218657 [1,1,0,0,0,0|2,0,0]=4 4321 B14R1.716 OC[C@@H](O)CNCCc1ccccc1 2230a_100020644852_100000765856 [1,1,0,0,0,0|1,0,0]=3 4322 B14R1.716 OC[C@@H](O)CNCCc1ccccn1 2230a_100020644852_100015183660 [1,1,0,0,0,0|2,0,0]=4 4323 B14R1.716 OC[C@@H](O)CNCCc1cccnc1 2230a_100020644852_200011713674 [1,1,0,0,0,0|2,0,0]=4 4324 B14R1.716 OC[C@@H](O)CNCCc1ccncc1 2230a_100020644852_100000723409 [1,1,0,0,0,0|2,0,0]=4 4325 B14R1.716 OC[C@@H](O)CNCSc1ccccc1 2230a_100020644852_100011218342 [1,1,0,0,0,0|2,0,0]=4 4326 B14R1.716 OC[C@H](F)CNCCc1ccccc1 34a_100015665980_100000765856 [1,1,0,0,0,0|1,0,0]=3 4327 B14R1.716 OC[C@H](O)CNCCc1ccccc1 2230a_100000106460_100009815848 [1,1,0,0,0,0|1,0,0]=3 4328 B14R1.716 OC[C@H](O)CNCCc1ccccc1 34a_100000106460_100009815848 [1,1,0,0,0,0|1,0,0]=3 4329 B14R1.716 OC[C@H](O)CNCCc1cccnc1 2230a_100000736294_100009815848 [1,1,0,0,0,0|2,0,0]=4 4330 B14R1.716 OC[C@H](O)COCCc1ccccc1 34a_100000210268_100009815848 [1,1,0,0,0,0|2,0,0]=4 4331 B14R1.716 OC[C@H](O)COCCc1ccccc1 7a_100000210268_100009815848 [1,1,0,0,0,0|2,0,0]=4 4332 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100000765856_100009815848 [1,1,0,0,0,0|2,0,0]=4 4333 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100009815848_100011218657 [1,1,0,0,0,0|2,0,0]=4 4334 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 2230a_100000106460_100015614560 [1,1,0,0,0,0|0,1,0]=3 4335 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 34a_100000106460_100015614560 [1,1,0,0,0,0|0,1,0]=3 4336 B14R1.716 O[C@@H](CF)CNCCc1cccnc1 2230a_100000736294_100015614560 [1,1,0,0,0,0|1,1,0]=4 4337 B14R1.716 O[C@@H](CF)COCCc1ccccc1 34a_100000210268_100015614560 [1,1,0,0,0,0|1,1,0]=4 4338 B14R1.716 O[C@@H](CF)COCCc1ccccc1 7a_100000210268_100015614560 [1,1,0,0,0,0|1,1,0]=4 4339 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100000765856_100015614560 [1,1,0,0,0,0|1,1,0]=4 4340 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100015614560_100011218657 [1,1,0,0,0,0|1,1,0]=4 4341 B14R1.882 BrCCCOCCc1ccccc1Br 34a_100011217188_100012161201 [1,1,0,0,0,0|1,1,0]=4 4342 B14R1.882 C#CCCNCCc1ccccc1Br 2230a_100000747383_100000688953 [1,1,0,0,0,0|1,0,1]=4 4343 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000747383_100000688953 [1,1,0,0,0,0|1,0,1]=4 4344 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000755551_100012161201 [1,1,0,0,0,0|1,0,1]=4 4345 B14R1.882 C#CCCNCCc1ccccc1C 2230a_100000685071_100000688953 [1,1,0,0,0,0|1,0,1]=4 4346 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000685071_100000688953 [1,1,0,0,0,0|1,0,1]=4 4347 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000755551_100011713688 [1,1,0,0,0,0|1,0,1]=4 4348 B14R1.882 C#CCCNCCc1ccccc1Cl 2230a_100011207228_100000688953 [1,1,0,0,0,0|1,0,1]=4 4349 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100000755551_100011713703 [1,1,0,0,0,0|1,0,1]=4 4350 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100011207228_100000688953 [1,1,0,0,0,0|1,0,1]=4 4351 B14R1.882 C#CCCNCCc1ccccc1F 2230a_100000185272_100000688953 [1,1,0,0,0,0|1,0,1]=4 4352 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000185272_100000688953 [1,1,0,0,0,0|1,0,1]=4 4353 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000755551_100000720011 [1,1,0,0,0,0|1,0,1]=4 4354 B14R1.882 C#CCCNCCc1ccccc1O 34a_100000755551_100000722297 [1,1,0,0,0,0|1,0,1]=4 4355 B14R1.882 C#CCCNCCc1ccccc1O 34a_100011207237_100000688953 [1,1,0,0,0,0|1,0,1]=4 4356 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100000747383_100000754431 [1,1,0,0,0,0|1,0,1]=4 4357 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100015191253_100012161201 [1,1,0,0,0,0|1,0,1]=4 4358 B14R1.882 C=CCCNCCc1ccccc1Br 34a_100000747383_100000754431 [1,1,0,0,0,0|1,0,1]=4 4359 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100000685071_100000754431 [1,1,0,0,0,0|1,0,1]=4 4360 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100015191253_100011713688 [1,1,0,0,0,0|1,0,1]=4 4361 B14R1.882 C=CCCNCCc1ccccc1C 34a_100000685071_100000754431 [1,1,0,0,0,0|1,0,1]=4 4362 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100011207228_100000754431 [1,1,0,0,0,0|1,0,1]=4 4363 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100015191253_100011713703 [1,1,0,0,0,0|1,0,1]=4 4364 B14R1.882 C=CCCNCCc1ccccc1Cl 270004a_100015191253_200011713468 [1,1,0,0,0,0|1,0,1]=4 4365 B14R1.882 C=CCCNCCc1ccccc1Cl 34a_100011207228_100000754431 [1,1,0,0,0,0|1,0,1]=4 4366 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100000185272_100000754431 [1,1,0,0,0,0|1,0,1]=4 4367 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100015191253_100011713696 [1,1,0,0,0,0|1,0,1]=4 4368 B14R1.882 C=CCCNCCc1ccccc1F 34a_100000185272_100000754431 [1,1,0,0,0,0|1,0,1]=4 4369 B14R1.882 C=CCCNCCc1ccccc1O 34a_100011207237_100000754431 [1,1,0,0,0,0|1,0,1]=4 4370 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000102301_100012161201 [1,1,0,0,0,0|1,0,0]=3 4371 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000747383_100000210211 [1,1,0,0,0,0|1,0,0]=3 4372 B14R1.882 CCCCNCCc1ccccc1Br 34a_100000747383_100000210210 [1,1,0,0,0,0|1,0,0]=3 4373 B14R1.882 CCCCNCCc1ccccc1Br 7a_106832991798_100012161201 [1,1,0,0,0,0|1,0,0]=3 4374 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000102301_100011713688 [1,1,0,0,0,0|1,0,0]=3 4375 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000685071_100000210211 [1,1,0,0,0,0|1,0,0]=3 4376 B14R1.882 CCCCNCCc1ccccc1C 34a_100000685071_100000210210 [1,1,0,0,0,0|1,0,0]=3 4377 B14R1.882 CCCCNCCc1ccccc1C 7a_106832991798_100011713688 [1,1,0,0,0,0|1,0,0]=3 4378 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100000102301_100011713703 [1,1,0,0,0,0|1,0,0]=3 4379 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100011207228_100000210211 [1,1,0,0,0,0|1,0,0]=3 4380 B14R1.882 CCCCNCCc1ccccc1Cl 270004a_100000102301_200011713468 [1,1,0,0,0,0|1,0,0]=3 4381 B14R1.882 CCCCNCCc1ccccc1Cl 34a_100011207228_100000210210 [1,1,0,0,0,0|1,0,0]=3 4382 B14R1.882 CCCCNCCc1ccccc1Cl 7a_106832991798_100011713703 [1,1,0,0,0,0|1,0,0]=3 4383 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000102301_100011713696 [1,1,0,0,0,0|1,0,0]=3 4384 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000185272_100000210211 [1,1,0,0,0,0|1,0,0]=3 4385 B14R1.882 CCCCNCCc1ccccc1F 34a_100000185272_100000210210 [1,1,0,0,0,0|1,0,0]=3 4386 B14R1.882 CCCCNCCc1ccccc1F 7a_106832991798_100000720011 [1,1,0,0,0,0|1,0,0]=3 4387 B14R1.882 CCCCNCCc1ccccc1O 34a_100011207237_100000210210 [1,1,0,0,0,0|1,0,0]=3 4388 B14R1.882 CCCCNCCc1ccccc1O 7a_106832991798_100000722297 [1,1,0,0,0,0|1,0,0]=3 4389 B14R1.882 CCCCNCCn1ccccc1=O 2230a_100000687133_100000210211 [1,1,0,0,0,0|2,0,0]=4 4390 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000210227_100012161201 [1,1,0,0,0,0|2,0,0]=4 4391 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000731337_100000210210 [1,1,0,0,0,0|2,0,0]=4 4392 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000210227_100012161201 [1,1,0,0,0,0|2,0,0]=4 4393 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000731337_100000210211 [1,1,0,0,0,0|2,0,0]=4 4394 B14R1.882 CCCCOCCc1ccccc1C 34a_100000210227_100011713688 [1,1,0,0,0,0|2,0,0]=4 4395 B14R1.882 CCCCOCCc1ccccc1C 34a_100011220023_100000210210 [1,1,0,0,0,0|2,0,0]=4 4396 B14R1.882 CCCCOCCc1ccccc1C 7a_100000210227_100011713688 [1,1,0,0,0,0|2,0,0]=4 4397 B14R1.882 CCCCOCCc1ccccc1C 7a_100011220023_100000210211 [1,1,0,0,0,0|2,0,0]=4 4398 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100000210227_100011713703 [1,1,0,0,0,0|2,0,0]=4 4399 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100011215284_100000210210 [1,1,0,0,0,0|2,0,0]=4 4400 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100000210227_100011713703 [1,1,0,0,0,0|2,0,0]=4 4401 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100011215284_100000210211 [1,1,0,0,0,0|2,0,0]=4 4402 B14R1.882 CCCCOCCc1ccccc1F 34a_100000210227_100000720011 [1,1,0,0,0,0|2,0,0]=4 4403 B14R1.882 CCCCOCCc1ccccc1F 34a_100000753711_100000210210 [1,1,0,0,0,0|2,0,0]=4 4404 B14R1.882 CCCCOCCc1ccccc1F 7a_100000210227_100000720011 [1,1,0,0,0,0|2,0,0]=4 4405 B14R1.882 CCCCOCCc1ccccc1F 7a_100000753711_100000210211 [1,1,0,0,0,0|2,0,0]=4 4406 B14R1.882 CCCCOCCc1ccccc1I 34a_100010255290_100000210210 [1,1,0,0,0,0|2,0,0]=4 4407 B14R1.882 CCCCOCCc1ccccc1I 7a_100010255290_100000210211 [1,1,0,0,0,0|2,0,0]=4 4408 B14R1.882 CCCCOCCc1ccccc1N 34a_100011215289_100000210210 [1,1,0,0,0,0|2,0,0]=4 4409 B14R1.882 CCCCOCCc1ccccc1O 34a_100000210227_100000722297 [1,1,0,0,0,0|2,0,0]=4 4410 B14R1.882 CCCCOCCc1ccccc1O 7a_100000210227_100000722297 [1,1,0,0,0,0|2,0,0]=4 4411 B14R1.882 CCCCSCCc1ccccc1Br 62a_100000210211_100012161201 [1,1,0,0,0,0|2,0,0]=4 4412 B14R1.882 CCCCSCCc1ccccc1Br 62a_100012161201_100000210210 [1,1,0,0,0,0|2,0,0]=4 4413 B14R1.882 CCCCSCCc1ccccc1C 62a_100000210211_100011713688 [1,1,0,0,0,0|2,0,0]=4 4414 B14R1.882 CCCCSCCc1ccccc1C 62a_100011713688_100000210210 [1,1,0,0,0,0|2,0,0]=4 4415 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100000210211_100011713703 [1,1,0,0,0,0|2,0,0]=4 4416 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100011713703_100000210210 [1,1,0,0,0,0|2,0,0]=4 4417 B14R1.882 CCCCSCCc1ccccc1F 62a_100000210211_100011713696 [1,1,0,0,0,0|2,0,0]=4 4418 B14R1.882 CCCCSCCc1ccccc1F 62a_100011713696_100000210210 [1,1,0,0,0,0|2,0,0]=4 4419 B14R1.882 CCCCSCCc1ccccc1O 62a_100000210211_100000722297 [1,1,0,0,0,0|2,0,0]=4 4420 B14R1.882 CCCCSCCc1ccccc1O 62a_100000722297_100000210210 [1,1,0,0,0,0|2,0,0]=4 4421 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000209980_100012161201 [1,1,0,0,0,0|2,0,0]=4 4422 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000747383_100011201679 [1,1,0,0,0,0|2,0,0]=4 4423 B14R1.882 COCCNCCc1ccccc1Br 34a_100000747383_100011201679 [1,1,0,0,0,0|2,0,0]=4 4424 B14R1.882 COCCNCCc1ccccc1C 2230a_100000209980_100011713688 [1,1,0,0,0,0|2,0,0]=4 4425 B14R1.882 COCCNCCc1ccccc1C 2230a_100000685071_100011201679 [1,1,0,0,0,0|2,0,0]=4 4426 B14R1.882 COCCNCCc1ccccc1C 34a_100000685071_100011201679 [1,1,0,0,0,0|2,0,0]=4 4427 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100000209980_100011713703 [1,1,0,0,0,0|2,0,0]=4 4428 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100011207228_100011201679 [1,1,0,0,0,0|2,0,0]=4 4429 B14R1.882 COCCNCCc1ccccc1Cl 270004a_100000209980_200011713468 [1,1,0,0,0,0|2,0,0]=4 4430 B14R1.882 COCCNCCc1ccccc1Cl 34a_100011207228_100011201679 [1,1,0,0,0,0|2,0,0]=4 4431 B14R1.882 COCCNCCc1ccccc1F 2230a_100000185272_100011201679 [1,1,0,0,0,0|2,0,0]=4 4432 B14R1.882 COCCNCCc1ccccc1F 2230a_100000209980_100011713696 [1,1,0,0,0,0|2,0,0]=4 4433 B14R1.882 COCCNCCc1ccccc1F 34a_100000185272_100011201679 [1,1,0,0,0,0|2,0,0]=4 4434 B14R1.882 COCCNCCc1ccccc1O 34a_100011207237_100011201679 [1,1,0,0,0,0|2,0,0]=4 4435 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100000747383_100000751147 [1,1,0,0,0,0|2,0,0]=4 4436 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100020590264_100012161201 [1,1,0,0,0,0|2,0,0]=4 4437 B14R1.882 CSCCNCCc1ccccc1Br 34a_100000747383_100000212216 [1,1,0,0,0,0|2,0,0]=4 4438 B14R1.882 CSCCNCCc1ccccc1C 2230a_100000685071_100000751147 [1,1,0,0,0,0|2,0,0]=4 4439 B14R1.882 CSCCNCCc1ccccc1C 2230a_100020590264_100011713688 [1,1,0,0,0,0|2,0,0]=4 4440 B14R1.882 CSCCNCCc1ccccc1C 34a_100000685071_100000212216 [1,1,0,0,0,0|2,0,0]=4 4441 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100011207228_100000751147 [1,1,0,0,0,0|2,0,0]=4 4442 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100020590264_100011713703 [1,1,0,0,0,0|2,0,0]=4 4443 B14R1.882 CSCCNCCc1ccccc1Cl 270004a_100020590264_200011713468 [1,1,0,0,0,0|2,0,0]=4 4444 B14R1.882 CSCCNCCc1ccccc1Cl 34a_100011207228_100000212216 [1,1,0,0,0,0|2,0,0]=4 4445 B14R1.882 CSCCNCCc1ccccc1F 2230a_100000185272_100000751147 [1,1,0,0,0,0|2,0,0]=4 4446 B14R1.882 CSCCNCCc1ccccc1F 2230a_100020590264_100011713696 [1,1,0,0,0,0|2,0,0]=4 4447 B14R1.882 CSCCNCCc1ccccc1F 34a_100000185272_100000212216 [1,1,0,0,0,0|2,0,0]=4 4448 B14R1.882 CSCCNCCc1ccccc1O 34a_100011207237_100000212216 [1,1,0,0,0,0|2,0,0]=4 4449 B14R1.882 Cc1ccccc1CCNCCC#N 2230a_100000685071_100011215226 [1,1,0,0,0,0|1,0,1]=4 4450 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100000685071_100011934791 [1,1,0,0,0,0|0,1,0]=3 4451 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100015189416_100011713688 [1,1,0,0,0,0|0,1,0]=3 4452 B14R1.882 Cc1ccccc1CCNCCCF 34a_100000685071_100011934791 [1,1,0,0,0,0|0,1,0]=3 4453 B14R1.882 Cc1ccccc1CCNCCCF 34a_100015189416_100011713688 [1,1,0,0,0,0|0,1,0]=3 4454 B14R1.882 Cc1ccccc1CCNCCCO 2230a_100000685071_100000230001 [1,1,0,0,0,0|1,0,0]=3 4455 B14R1.882 Cc1ccccc1CCNCCCO 34a_100000685071_100000230001 [1,1,0,0,0,0|1,0,0]=3 4456 B14R1.882 Cc1ccccc1CCOCCCBr 34a_100011217188_100011713688 [1,1,0,0,0,0|1,1,0]=4 4457 B14R1.882 Cc1ccccc1CCOCCCCl 34a_100000230001_100011713688 [1,1,0,0,0,0|1,0,0]=3 4458 B14R1.882 Cc1ccccc1CCOCCCF 34a_100000759539_100011713688 [1,1,0,0,0,0|1,1,0]=4 4459 B14R1.882 Cc1ccccc1CCOCCCF 34a_100011220023_100011934791 [1,1,0,0,0,0|1,1,0]=4 4460 B14R1.882 Cc1ccccc1CCOCCCF 7a_100011220023_100011934791 [1,1,0,0,0,0|1,1,0]=4 4461 B14R1.882 Cc1ccccc1CCOCCCN 34a_100000182051_100011713688 [1,1,0,0,0,0|2,0,0]=4 4462 B14R1.882 Cc1ccccc1CCOCCCO 34a_100011220023_100000230001 [1,1,0,0,0,0|2,0,0]=4 4463 B14R1.882 Cc1ccccc1CCOCCCO 7a_100011220023_100011215043 [1,1,0,0,0,0|2,0,0]=4 4464 B14R1.882 Cc1ccccc1CCSCCCF 62a_100011713688_100011934791 [1,1,0,0,0,0|1,1,0]=4 4465 B14R1.882 Cc1ccccc1CCSCCCF 62a_100011934791_100011713688 [1,1,0,0,0,0|1,1,0]=4 4466 B14R1.882 Cc1ccccc1CCSCCCO 62a_100011215043_100011713688 [1,1,0,0,0,0|2,0,0]=4 4467 B14R1.882 Cc1ccccc1CCSCCCO 62a_100011713688_100011215043 [1,1,0,0,0,0|2,0,0]=4 4468 B14R1.882 Cc1ccccc1COCCCCCl 34a_100000210776_100000211839 [1,1,0,0,0,0|2,0,0]=4 4469 B14R1.882 Cc1ccccc1COCCCCCl 7a_100000210776_100000211839 [1,1,0,0,0,0|2,0,0]=4 4470 B14R1.882 ClCCCCOCc1ccccc1Br 34a_100000210776_100000184730 [1,1,0,0,0,0|2,0,0]=4 4471 B14R1.882 ClCCCCOCc1ccccc1Br 7a_100000210776_100000184730 [1,1,0,0,0,0|2,0,0]=4 4472 B14R1.882 ClCCCCOCc1ccccc1Cl 34a_100000210776_100000187162 [1,1,0,0,0,0|2,0,0]=4 4473 B14R1.882 ClCCCCOCc1ccccc1Cl 7a_100000210776_100000187162 [1,1,0,0,0,0|2,0,0]=4 4474 B14R1.882 ClCCCCOCc1ccccc1I 34a_100000210776_100011215278 [1,1,0,0,0,0|2,0,0]=4 4475 B14R1.882 ClCCCCOCc1ccccc1I 7a_100000210776_100011215278 [1,1,0,0,0,0|2,0,0]=4 4476 B14R1.882 ClCCCOCCc1ccccc1Br 34a_100000230001_100012161201 [1,1,0,0,0,0|1,0,0]=3 4477 B14R1.882 ClCCCOCCc1ccccc1Cl 34a_100000230001_100011713703 [1,1,0,0,0,0|1,0,0]=3 4478 B14R1.882 Clc1ccccc1CCOCCCBr 34a_100011217188_100011713703 [1,1,0,0,0,0|1,1,0]=4 4479 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100000747383_100011934791 [1,1,0,0,0,0|0,1,0]=3 4480 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100015189416_100012161201 [1,1,0,0,0,0|0,1,0]=3 4481 B14R1.882 FCCCNCCc1ccccc1Br 34a_100000747383_100011934791 [1,1,0,0,0,0|0,1,0]=3 4482 B14R1.882 FCCCNCCc1ccccc1Br 34a_100015189416_100012161201 [1,1,0,0,0,0|0,1,0]=3 4483 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100011207228_100011934791 [1,1,0,0,0,0|0,1,0]=3 4484 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100015189416_100011713703 [1,1,0,0,0,0|0,1,0]=3 4485 B14R1.882 FCCCNCCc1ccccc1Cl 270004a_100015189416_200011713468 [1,1,0,0,0,0|0,1,0]=3 4486 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100011207228_100011934791 [1,1,0,0,0,0|0,1,0]=3 4487 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100015189416_100011713703 [1,1,0,0,0,0|0,1,0]=3 4488 B14R1.882 FCCCNCCc1ccccc1F 2230a_100000185272_100011934791 [1,1,0,0,0,0|0,1,0]=3 4489 B14R1.882 FCCCNCCc1ccccc1F 2230a_100015189416_100011713696 [1,1,0,0,0,0|0,1,0]=3 4490 B14R1.882 FCCCNCCc1ccccc1F 34a_100000185272_100011934791 [1,1,0,0,0,0|0,1,0]=3 4491 B14R1.882 FCCCNCCc1ccccc1F 34a_100015189416_100000720011 [1,1,0,0,0,0|0,1,0]=3 4492 B14R1.882 FCCCOCCc1ccccc1Br 34a_100000731337_100011934791 [1,1,0,0,0,0|1,1,0]=4 4493 B14R1.882 FCCCOCCc1ccccc1Br 34a_100000759539_100012161201 [1,1,0,0,0,0|1,1,0]=4 4494 B14R1.882 FCCCOCCc1ccccc1Br 7a_100000731337_100011934791 [1,1,0,0,0,0|1,1,0]=4 4495 B14R1.882 FCCCOCCc1ccccc1Cl 34a_100000759539_100011713703 [1,1,0,0,0,0|1,1,0]=4 4496 B14R1.882 FCCCOCCc1ccccc1Cl 34a_100011215284_100011934791 [1,1,0,0,0,0|1,1,0]=4 4497 B14R1.882 FCCCOCCc1ccccc1Cl 7a_100011215284_100011934791 [1,1,0,0,0,0|1,1,0]=4 4498 B14R1.882 FCCCOCCc1ccccc1F 34a_100000753711_100011934791 [1,1,0,0,0,0|1,1,0]=4 4499 B14R1.882 FCCCOCCc1ccccc1F 34a_100000759539_100000720011 [1,1,0,0,0,0|1,1,0]=4 4500 B14R1.882 FCCCOCCc1ccccc1F 7a_100000753711_100011934791 [1,1,0,0,0,0|1,1,0]=4 4501 B14R1.882 FCCCOCCc1ccccc1I 34a_100010255290_100011934791 [1,1,0,0,0,0|1,1,0]=4 4502 B14R1.882 FCCCOCCc1ccccc1I 7a_100010255290_100011934791 [1,1,0,0,0,0|1,1,0]=4 4503 B14R1.882 FCCCSCCc1ccccc1Br 62a_100011934791_100012161201 [1,1,0,0,0,0|1,1,0]=4 4504 B14R1.882 FCCCSCCc1ccccc1Br 62a_100012161201_100011934791 [1,1,0,0,0,0|1,1,0]=4 4505 B14R1.882 FCCCSCCc1ccccc1Cl 62a_100011713703_100011934791 [1,1,0,0,0,0|1,1,0]=4 4506 B14R1.882 FCCCSCCc1ccccc1Cl 62a_100011934791_100011713703 [1,1,0,0,0,0|1,1,0]=4 4507 B14R1.882 FCCCSCCc1ccccc1F 62a_100011713696_100011934791 [1,1,0,0,0,0|1,1,0]=4 4508 B14R1.882 FCCCSCCc1ccccc1F 62a_100011934791_100011713696 [1,1,0,0,0,0|1,1,0]=4 4509 B14R1.882 Fc1ccccc1CCOCCCBr 34a_100011217188_100000720011 [1,1,0,0,0,0|1,1,0]=4 4510 B14R1.882 Fc1ccccc1CCOCCCCl 34a_100000230001_100000720011 [1,1,0,0,0,0|1,0,0]=3 4511 B14R1.882 Fc1ccccc1COCCCCCl 34a_100000210776_100000211605 [1,1,0,0,0,0|2,0,0]=4 4512 B14R1.882 Fc1ccccc1COCCCCCl 7a_100000210776_100000211605 [1,1,0,0,0,0|2,0,0]=4 4513 B14R1.882 N#CCCNCCc1ccccc1Br 2230a_100000747383_100011215226 [1,1,0,0,0,0|1,0,1]=4 4514 B14R1.882 N#CCCNCCc1ccccc1Cl 2230a_100011207228_100011215226 [1,1,0,0,0,0|1,0,1]=4 4515 B14R1.882 N#CCCNCCc1ccccc1Cl 270004a_100000720768_200011713468 [1,1,0,0,0,0|1,0,1]=4 4516 B14R1.882 N#CCCNCCc1ccccc1F 2230a_100000185272_100011215226 [1,1,0,0,0,0|1,0,1]=4 4517 B14R1.882 NCCCOCCc1ccccc1Br 34a_100000182051_100012161201 [1,1,0,0,0,0|2,0,0]=4 4518 B14R1.882 NCCCOCCc1ccccc1Cl 34a_100000182051_100011713703 [1,1,0,0,0,0|2,0,0]=4 4519 B14R1.882 NCCCOCCc1ccccc1F 34a_100000182051_100000720011 [1,1,0,0,0,0|2,0,0]=4 4520 B14R1.882 NCCCOCCc1ccccc1O 34a_100000182051_100000722297 [1,1,0,0,0,0|2,0,0]=4 4521 B14R1.882 Nc1ccccc1CCOCCCF 34a_100011215289_100011934791 [1,1,0,0,0,0|1,1,0]=4 4522 B14R1.882 Nc1ccccc1CCOCCCO 34a_100011215289_100000230001 [1,1,0,0,0,0|2,0,0]=4 4523 B14R1.882 O=c1ccccn1CCNCCCF 2230a_100000687133_100011934791 [1,1,0,0,0,0|1,1,0]=4 4524 B14R1.882 O=c1ccccn1CCNCCCO 2230a_100000687133_100000230001 [1,1,0,0,0,0|2,0,0]=4 4525 B14R1.882 OCCCNCCc1ccccc1Br 2230a_100000747383_100000230001 [1,1,0,0,0,0|1,0,0]=3 4526 B14R1.882 OCCCNCCc1ccccc1Br 34a_100000747383_100000230001 [1,1,0,0,0,0|1,0,0]=3 4527 B14R1.882 OCCCNCCc1ccccc1Cl 2230a_100011207228_100000230001 [1,1,0,0,0,0|1,0,0]=3 4528 B14R1.882 OCCCNCCc1ccccc1Cl 270004a_100000182051_200011713468 [1,1,0,0,0,0|1,0,0]=3 4529 B14R1.882 OCCCNCCc1ccccc1Cl 34a_100011207228_100000230001 [1,1,0,0,0,0|1,0,0]=3 4530 B14R1.882 OCCCNCCc1ccccc1F 2230a_100000185272_100000230001 [1,1,0,0,0,0|1,0,0]=3 4531 B14R1.882 OCCCNCCc1ccccc1F 34a_100000185272_100000230001 [1,1,0,0,0,0|1,0,0]=3 4532 B14R1.882 OCCCNCCc1ccccc1O 34a_100011207237_100000230001 [1,1,0,0,0,0|1,0,0]=3 4533 B14R1.882 OCCCOCCc1ccccc1Br 34a_100000731337_100000230001 [1,1,0,0,0,0|2,0,0]=4 4534 B14R1.882 OCCCOCCc1ccccc1Br 7a_100000731337_100011215043 [1,1,0,0,0,0|2,0,0]=4 4535 B14R1.882 OCCCOCCc1ccccc1Cl 34a_100011215284_100000230001 [1,1,0,0,0,0|2,0,0]=4 4536 B14R1.882 OCCCOCCc1ccccc1Cl 7a_100011215284_100011215043 [1,1,0,0,0,0|2,0,0]=4 4537 B14R1.882 OCCCOCCc1ccccc1F 34a_100000753711_100000230001 [1,1,0,0,0,0|2,0,0]=4 4538 B14R1.882 OCCCOCCc1ccccc1F 7a_100000753711_100011215043 [1,1,0,0,0,0|2,0,0]=4 4539 B14R1.882 OCCCOCCc1ccccc1I 34a_100010255290_100000230001 [1,1,0,0,0,0|2,0,0]=4 4540 B14R1.882 OCCCOCCc1ccccc1I 7a_100010255290_100011215043 [1,1,0,0,0,0|2,0,0]=4 4541 B14R1.882 OCCCSCCc1ccccc1Br 62a_100011215043_100012161201 [1,1,0,0,0,0|2,0,0]=4 4542 B14R1.882 OCCCSCCc1ccccc1Br 62a_100012161201_100011215043 [1,1,0,0,0,0|2,0,0]=4 4543 B14R1.882 OCCCSCCc1ccccc1Cl 62a_100011215043_100011713703 [1,1,0,0,0,0|2,0,0]=4 4544 B14R1.882 OCCCSCCc1ccccc1Cl 62a_100011713703_100011215043 [1,1,0,0,0,0|2,0,0]=4 4545 B14R1.882 OCCCSCCc1ccccc1F 62a_100011215043_100011713696 [1,1,0,0,0,0|2,0,0]=4 4546 B14R1.882 OCCCSCCc1ccccc1F 62a_100011713696_100011215043 [1,1,0,0,0,0|2,0,0]=4 4547 B14R1.882 OCCCSCCc1ccccc1O 62a_100000722297_100011215043 [1,1,0,0,0,0|2,0,0]=4 4548 B14R1.882 OCCCSCCc1ccccc1O 62a_100011215043_100000722297 [1,1,0,0,0,0|2,0,0]=4 4549 B14R1.882 Oc1ccccc1CCNCCCF 34a_100011207237_100011934791 [1,1,0,0,0,0|0,1,0]=3 4550 B14R1.882 Oc1ccccc1CCNCCCF 34a_100015189416_100000722297 [1,1,0,0,0,0|0,1,0]=3 4551 B14R1.882 Oc1ccccc1CCOCCCBr 34a_100011217188_100000722297 [1,1,0,0,0,0|1,1,0]=4 4552 B14R1.882 Oc1ccccc1CCOCCCCl 34a_100000230001_100000722297 [1,1,0,0,0,0|1,0,0]=3 4553 B14R1.882 Oc1ccccc1CCOCCCF 34a_100000759539_100000722297 [1,1,0,0,0,0|1,1,0]=4 4554 B14R1.882 Oc1ccccc1CCSCCCF 62a_100000722297_100011934791 [1,1,0,0,0,0|1,1,0]=4 4555 B14R1.882 Oc1ccccc1CCSCCCF 62a_100011934791_100000722297 [1,1,0,0,0,0|1,1,0]=4 4556 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000038162 [1,1,0,0,0,0|0,0,2]=4 4557 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000184674 [1,1,0,0,0,0|0,0,2]=4 4558 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Br 270004a_100020586998_100000691760 [1,1,0,0,0,0|0,0,2]=4 4559 B14R1.33 C=CCNC(C)Cc1ccc(cc1)C 270004a_100020586998_100000751045 [1,1,0,0,0,0|0,0,2]=4 4560 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Cl 270004a_100020586998_100000747806 [1,1,0,0,0,0|0,0,2]=4 4561 B14R1.33 C=CCNC(C)Cc1ccc(cc1)F 270004a_100020586998_100000745281 [1,1,0,0,0,0|0,0,2]=4 4562 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210623 [1,1,0,0,0,0|0,0,2]=4 4563 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 270004a_100020586998_100011218180 [1,1,0,0,0,0|0,0,2]=4 4564 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100015514636 [1,1,0,0,0,0|0,0,2]=4 4565 B14R1.33 CC(Cc1ccc(cc1)Br)NCCO 270004a_100000210304_100000691760 [1,1,0,0,0,0|1,0,0]=3 4566 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000747806 [1,1,0,0,0,0|1,0,0]=3 4567 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 270004a_100000210304_100000745281 [1,1,0,0,0,0|1,0,0]=3 4568 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 34a_100011351027_100011217306 [1,1,0,0,0,0|1,1,0]=4 4569 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 7a_100011351027_100011217306 [1,1,0,0,0,0|1,1,0]=4 4570 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 34a_100011351027_100000211926 [1,1,0,0,0,0|2,0,0]=4 4571 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 7a_100011351027_100000211926 [1,1,0,0,0,0|2,0,0]=4 4572 B14R1.33 CC(Cc1ccc(cc1)O)NCC#N 2230a_100102634573_100011215382 [1,1,0,0,0,0|1,0,1]=4 4573 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 2230a_100102634573_200015260668 [1,1,0,0,0,0|1,0,1]=4 4574 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 34a_100102634573_200009817547 [1,1,0,0,0,0|1,0,1]=4 4575 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 2230a_100102634573_100011217306 [1,1,0,0,0,0|0,1,0]=3 4576 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 34a_100102634573_100011217306 [1,1,0,0,0,0|0,1,0]=3 4577 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 2230a_100102634573_100000211926 [1,1,0,0,0,0|1,0,0]=3 4578 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 270004a_100000210304_100011218180 [1,1,0,0,0,0|1,0,0]=3 4579 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 34a_100102634573_100000211926 [1,1,0,0,0,0|1,0,0]=3 4580 B14R1.33 CCCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_200011215066 [1,1,0,0,0,0|2,0,0]=4 4581 B14R1.33 CCCCC(C)Nc1ccc(cc1)Br 34a_100000210018_200011215066 [1,1,0,0,0,0|2,0,0]=4 4582 B14R1.33 CCCCC(C)Nc1ccc(cc1)C 34a_100000124888_200011215066 [1,1,0,0,0,0|2,0,0]=4 4583 B14R1.33 CCCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_200011215066 [1,1,0,0,0,0|2,0,0]=4 4584 B14R1.33 CCCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_200011215066 [1,1,0,0,0,0|2,0,0]=4 4585 B14R1.33 CCCCC(C)Nc1ccc(cc1)F 34a_100000185862_200011215066 [1,1,0,0,0,0|2,0,0]=4 4586 B14R1.33 CCCCC(C)Nc1ccc(cc1)I 34a_100000185761_200011215066 [1,1,0,0,0,0|2,0,0]=4 4587 B14R1.33 CCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011215066 [1,1,0,0,0,0|2,0,0]=4 4588 B14R1.33 CCCCC(C)Oc1ccc(cc1)Br 34a_100000185759_200011215066 [1,1,0,0,0,0|2,0,0]=4 4589 B14R1.33 CCCCC(C)Oc1ccc(cc1)Br 7a_100000185759_200011215066 [1,1,0,0,0,0|2,0,0]=4 4590 B14R1.33 CCCCC(C)Oc1ccc(cc1)C 34a_100000210336_200011215066 [1,1,0,0,0,0|2,0,0]=4 4591 B14R1.33 CCCCC(C)Oc1ccc(cc1)C 7a_100000210336_200011215066 [1,1,0,0,0,0|2,0,0]=4 4592 B14R1.33 CCCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_200011215066 [1,1,0,0,0,0|2,0,0]=4 4593 B14R1.33 CCCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_200011215066 [1,1,0,0,0,0|2,0,0]=4 4594 B14R1.33 CCCCC(C)Oc1ccc(cc1)F 34a_100000210339_200011215066 [1,1,0,0,0,0|2,0,0]=4 4595 B14R1.33 CCCCC(C)Oc1ccc(cc1)I 34a_100000212066_200011215066 [1,1,0,0,0,0|2,0,0]=4 4596 B14R1.33 CCCCC(C)Oc1ccc(cc1)I 7a_100000212066_200011215066 [1,1,0,0,0,0|2,0,0]=4 4597 B14R1.33 CCCCC(C)Oc1ccc(cc1)N 34a_100000185829_200011215066 [1,1,0,0,0,0|2,0,0]=4 4598 B14R1.33 CCCCC(C)Sc1ccc(cc1)Br 62a_100000752885_200011215066 [1,1,0,0,0,0|2,0,0]=4 4599 B14R1.33 CCCCC(C)Sc1ccc(cc1)Br 62a_200011215066_100000752885 [1,1,0,0,0,0|2,0,0]=4 4600 B14R1.33 CCCCC(C)Sc1ccc(cc1)C 62a_100000186775_200011215066 [1,1,0,0,0,0|2,0,0]=4 4601 B14R1.33 CCCCC(C)Sc1ccc(cc1)C 62a_200011215066_100000186775 [1,1,0,0,0,0|2,0,0]=4 4602 B14R1.33 CCCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_200011215066 [1,1,0,0,0,0|2,0,0]=4 4603 B14R1.33 CCCCC(C)Sc1ccc(cc1)Cl 62a_200011215066_100000755918 [1,1,0,0,0,0|2,0,0]=4 4604 B14R1.33 CCCCC(C)Sc1ccc(cc1)F 62a_100000211213_200011215066 [1,1,0,0,0,0|2,0,0]=4 4605 B14R1.33 CCCCC(C)Sc1ccc(cc1)F 62a_200011215066_100000211213 [1,1,0,0,0,0|2,0,0]=4 4606 B14R1.33 CCCCC(C)Sc1ccc(cc1)N 62a_100000185761_200011215066 [1,1,0,0,0,0|2,0,0]=4 4607 B14R1.33 CCCCC(C)Sc1ccc(cc1)N 62a_200011215066_100000185761 [1,1,0,0,0,0|2,0,0]=4 4608 B14R1.33 CCCCC(C)Sc1ccc(cc1)O 62a_200011215066_100000185759 [1,1,0,0,0,0|2,0,0]=4 4609 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210211 [1,1,0,0,0,0|2,0,0]=4 4610 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100000207549_100011217064 [1,1,0,0,0,0|2,0,0]=4 4611 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100015187156_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210211 [1,1,0,0,0,0|2,0,0]=4 4613 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100000207549_100011217064 [1,1,0,0,0,0|2,0,0]=4 4614 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100015187156_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 26a_100000207549_100000185759 [1,1,0,0,0,0|2,0,0]=4 4616 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 270004a_100000207549_100000186029 [1,1,0,0,0,0|2,0,0]=4 4617 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000196039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4618 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000207549_100000210814 [1,1,0,0,0,0|2,0,0]=4 4619 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210211 [1,1,0,0,0,0|2,0,0]=4 4620 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000196039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4621 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000207549_100000210814 [1,1,0,0,0,0|2,0,0]=4 4622 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210211 [1,1,0,0,0,0|2,0,0]=4 4623 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 26a_100000207549_200020625495 [1,1,0,0,0,0|2,0,0]=4 4624 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 270004a_100000207549_100000211033 [1,1,0,0,0,0|2,0,0]=4 4625 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 34a_100000196039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4626 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210210 [1,1,0,0,0,0|2,0,0]=4 4627 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210211 [1,1,0,0,0,0|2,0,0]=4 4628 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100000207549_100000694040 [1,1,0,0,0,0|2,0,0]=4 4629 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100015186511_200000210301 [1,1,0,0,0,0|2,0,0]=4 4630 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210211 [1,1,0,0,0,0|2,0,0]=4 4631 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100000207549_100000187161 [1,1,0,0,0,0|2,0,0]=4 4632 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100015186511_200000210301 [1,1,0,0,0,0|2,0,0]=4 4633 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 270004a_100000207549_100000189385 [1,1,0,0,0,0|2,0,0]=4 4634 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210210 [1,1,0,0,0,0|2,0,0]=4 4635 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 34a_100015186511_200000210301 [1,1,0,0,0,0|2,0,0]=4 4636 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210211 [1,1,0,0,0,0|2,0,0]=4 4637 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000196033_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000207549_100000198546 [1,1,0,0,0,0|2,0,0]=4 4639 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210211 [1,1,0,0,0,0|2,0,0]=4 4640 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000196033_200000210301 [1,1,0,0,0,0|2,0,0]=4 4641 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000207549_100000198546 [1,1,0,0,0,0|2,0,0]=4 4642 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 270004a_100000207549_100000210084 [1,1,0,0,0,0|2,0,0]=4 4643 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210210 [1,1,0,0,0,0|2,0,0]=4 4644 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 34a_100000196033_200000210301 [1,1,0,0,0,0|2,0,0]=4 4645 B14R1.33 CCCCN(C)Cc1ccc(cc1)I 2230a_100000207549_100000189116 [1,1,0,0,0,0|2,0,0]=4 4646 B14R1.33 CCCCN(C)Cc1ccc(cc1)I 269982a_100000207549_100000189116 [1,1,0,0,0,0|2,0,0]=4 4647 B14R1.33 CCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210211 [1,1,0,0,0,0|2,0,0]=4 4648 B14R1.33 CCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210211 [1,1,0,0,0,0|2,0,0]=4 4649 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Br 2230a_100015187156_200025704644 [1,1,0,0,0,0|2,0,0]=4 4650 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Br 269982a_100015187156_200025704644 [1,1,0,0,0,0|2,0,0]=4 4651 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 2230a_100000196039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4652 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 269982a_100000196039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4653 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 34a_100000196039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4654 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100015186511_200025704644 [1,1,0,0,0,0|2,0,0]=4 4655 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100015186511_200025704644 [1,1,0,0,0,0|2,0,0]=4 4656 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 34a_100015186511_200025704644 [1,1,0,0,0,0|2,0,0]=4 4657 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 2230a_100000196033_200025704644 [1,1,0,0,0,0|2,0,0]=4 4658 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 269982a_100000196033_200025704644 [1,1,0,0,0,0|2,0,0]=4 4659 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 34a_100000196033_200025704644 [1,1,0,0,0,0|2,0,0]=4 4660 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 11a_100020643023_100000198978 [1,1,0,0,0,0|1,0,1]=4 4661 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 240690a_100020643023_100000198978 [1,1,0,0,0,0|1,0,1]=4 4662 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 527a_100020643023_100000198978 [1,1,0,0,0,0|1,0,1]=4 4663 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 11a_100020643023_100000212244 [1,1,0,0,0,0|1,0,1]=4 4664 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 240690a_100020643023_100000212244 [1,1,0,0,0,0|1,0,1]=4 4665 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 527a_100020643023_100000212244 [1,1,0,0,0,0|1,0,1]=4 4666 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 11a_100020643023_100000211027 [1,1,0,0,0,0|1,0,1]=4 4667 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 240690a_100020643023_100000211027 [1,1,0,0,0,0|1,0,1]=4 4668 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 527a_100020643023_100000211027 [1,1,0,0,0,0|1,0,1]=4 4669 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 11a_100020643023_100000210951 [1,1,0,0,0,0|1,0,1]=4 4670 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 1626a_100020643023_100000210951 [1,1,0,0,0,0|1,0,1]=4 4671 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 240690a_100020643023_100000210951 [1,1,0,0,0,0|1,0,1]=4 4672 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 527a_100020643023_100000210951 [1,1,0,0,0,0|1,0,1]=4 4673 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 11a_100020643023_100000688869 [1,1,0,0,0,0|1,0,1]=4 4674 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 1626a_100020643023_100000688869 [1,1,0,0,0,0|1,0,1]=4 4675 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 240690a_100020643023_100000688869 [1,1,0,0,0,0|1,0,1]=4 4676 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 527a_100020643023_100000688869 [1,1,0,0,0,0|1,0,1]=4 4677 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 1626a_100020643023_100000198540 [1,1,0,0,0,0|1,0,1]=4 4678 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 240690a_100020643023_100000198540 [1,1,0,0,0,0|1,0,1]=4 4679 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 271570a_203496583355_200000152284 [1,1,0,0,0,0|1,0,1]=4 4680 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 527a_100020643023_100000198540 [1,1,0,0,0,0|1,0,1]=4 4681 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br 270004a_100020643023_100000691760 [1,1,0,0,0,0|0,0,0]=2 4682 B14R1.33 CCCNC(C)Cc1ccc(cc1)C 270004a_100020643023_100000751045 [1,1,0,0,0,0|0,0,0]=2 4683 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl 270004a_100020643023_100000747806 [1,1,0,0,0,0|0,0,0]=2 4684 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 270004a_100020643023_100000745281 [1,1,0,0,0,0|0,0,0]=2 4685 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [1,1,0,0,0,0|0,0,0]=2 4686 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [1,1,0,0,0,0|0,0,0]=2 4687 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [1,1,0,0,0,0|0,0,0]=2 4688 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210303 [1,1,0,0,0,0|1,0,0]=3 4689 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210303 [1,1,0,0,0,0|1,0,0]=3 4690 B14R1.33 CN(CCCF)Cc1ccc(cc1)Br 2230a_100000180866_100011934791 [1,1,0,0,0,0|1,1,0]=4 4691 B14R1.33 CN(CCCF)Cc1ccc(cc1)Br 269982a_100000180866_100011934791 [1,1,0,0,0,0|1,1,0]=4 4692 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011934791 [1,1,0,0,0,0|1,1,0]=4 4693 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011934791 [1,1,0,0,0,0|1,1,0]=4 4694 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 34a_100000184517_100011934791 [1,1,0,0,0,0|1,1,0]=4 4695 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 2230a_100000184576_100011934791 [1,1,0,0,0,0|1,1,0]=4 4696 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 269982a_100000184576_100011934791 [1,1,0,0,0,0|1,1,0]=4 4697 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 34a_100000184576_100011934791 [1,1,0,0,0,0|1,1,0]=4 4698 B14R1.33 CN(CCCF)Cc1ccc(cc1)O 2230a_100000207500_100011934791 [1,1,0,0,0,0|1,1,0]=4 4699 B14R1.33 CN(CCCF)Cc1ccc(cc1)O 269982a_100000207500_100011934791 [1,1,0,0,0,0|1,1,0]=4 4700 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 2230a_100000180866_100000230001 [1,1,0,0,0,0|2,0,0]=4 4701 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 2230a_100000213112_100011217064 [1,1,0,0,0,0|2,0,0]=4 4702 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 269982a_100000180866_100011215043 [1,1,0,0,0,0|2,0,0]=4 4703 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 269982a_100000213112_100011217064 [1,1,0,0,0,0|2,0,0]=4 4704 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 26a_100000213112_100000185759 [1,1,0,0,0,0|2,0,0]=4 4705 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 270004a_100000213112_100000186029 [1,1,0,0,0,0|2,0,0]=4 4706 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000230001 [1,1,0,0,0,0|2,0,0]=4 4707 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100000213112_100000694040 [1,1,0,0,0,0|2,0,0]=4 4708 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100015186341_200000210301 [1,1,0,0,0,0|2,0,0]=4 4709 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100000184517_100011215043 [1,1,0,0,0,0|2,0,0]=4 4710 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100000213112_100000187161 [1,1,0,0,0,0|2,0,0]=4 4711 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100015186341_200000210301 [1,1,0,0,0,0|2,0,0]=4 4712 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 270004a_100000213112_100000189385 [1,1,0,0,0,0|2,0,0]=4 4713 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 34a_100000184517_100000230001 [1,1,0,0,0,0|2,0,0]=4 4714 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 34a_100015186341_200000210301 [1,1,0,0,0,0|2,0,0]=4 4715 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000180847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4716 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000184576_100000230001 [1,1,0,0,0,0|2,0,0]=4 4717 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000213112_100000198546 [1,1,0,0,0,0|2,0,0]=4 4718 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000180847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4719 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000184576_100011215043 [1,1,0,0,0,0|2,0,0]=4 4720 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000213112_100000198546 [1,1,0,0,0,0|2,0,0]=4 4721 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 270004a_100000213112_100000210084 [1,1,0,0,0,0|2,0,0]=4 4722 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 34a_100000180847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4723 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 34a_100000184576_100000230001 [1,1,0,0,0,0|2,0,0]=4 4724 B14R1.33 CN(CCCO)Cc1ccc(cc1)I 2230a_100000213112_100000189116 [1,1,0,0,0,0|2,0,0]=4 4725 B14R1.33 CN(CCCO)Cc1ccc(cc1)I 269982a_100000213112_100000189116 [1,1,0,0,0,0|2,0,0]=4 4726 B14R1.33 CN(CCCO)Cc1ccc(cc1)O 2230a_100000207500_100000230001 [1,1,0,0,0,0|2,0,0]=4 4727 B14R1.33 CN(CCCO)Cc1ccc(cc1)O 269982a_100000207500_100011215043 [1,1,0,0,0,0|2,0,0]=4 4728 B14R1.33 COCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766300 [1,1,0,0,0,0|1,0,0]=3 4729 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218213 [1,1,0,0,0,0|1,0,0]=3 4730 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218213 [1,1,0,0,0,0|1,0,0]=3 4731 B14R1.33 CSCOC(C)Cc1ccc(cc1)F 34a_100011351027_100011218213 [1,1,0,0,0,0|2,0,0]=4 4732 B14R1.33 Cc1ccc(cc1)CC(C)NCCO 270004a_100000210304_100000751045 [1,1,0,0,0,0|1,0,0]=3 4733 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 2230a_100000744650_100011934791 [1,1,0,0,0,0|1,1,0]=4 4734 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 269982a_100000744650_100011934791 [1,1,0,0,0,0|1,1,0]=4 4735 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 34a_100000744650_100011934791 [1,1,0,0,0,0|1,1,0]=4 4736 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100000213112_100000210814 [1,1,0,0,0,0|2,0,0]=4 4737 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100000744650_100000230001 [1,1,0,0,0,0|2,0,0]=4 4738 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100015185078_200000210301 [1,1,0,0,0,0|2,0,0]=4 4739 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100000213112_100000210814 [1,1,0,0,0,0|2,0,0]=4 4740 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100000744650_100011215043 [1,1,0,0,0,0|2,0,0]=4 4741 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100015185078_200000210301 [1,1,0,0,0,0|2,0,0]=4 4742 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 26a_100000213112_200020625495 [1,1,0,0,0,0|2,0,0]=4 4743 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 270004a_100000213112_100000211033 [1,1,0,0,0,0|2,0,0]=4 4744 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 34a_100000744650_100000230001 [1,1,0,0,0,0|2,0,0]=4 4745 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 34a_100015185078_200000210301 [1,1,0,0,0,0|2,0,0]=4 4746 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 2230a_100015185078_200025704644 [1,1,0,0,0,0|2,0,0]=4 4747 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 269982a_100015185078_200025704644 [1,1,0,0,0,0|2,0,0]=4 4748 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 34a_100015185078_200025704644 [1,1,0,0,0,0|2,0,0]=4 4749 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 2230a_100015186341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4750 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 269982a_100015186341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4751 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 34a_100015186341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4752 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 2230a_100000180847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4753 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 269982a_100000180847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4754 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 34a_100000180847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4755 B14R1.34 C=CCNC(C)Cc1cccc(c1)Br 270004a_100020586998_100000689217 [1,1,0,0,0,0|0,0,2]=4 4756 B14R1.34 C=CCNC(C)Cc1cccc(c1)Cl 270004a_100020586998_100000727212 [1,1,0,0,0,0|0,0,2]=4 4757 B14R1.34 C=CCNC(C)Cc1cccc(c1)F 270004a_100020586998_100000687711 [1,1,0,0,0,0|0,0,2]=4 4758 B14R1.34 CC(Cc1cccc(c1)Br)NCCO 270004a_100000210304_100000689217 [1,1,0,0,0,0|1,0,0]=3 4759 B14R1.34 CC(Cc1cccc(c1)Cl)NCCO 270004a_100000210304_100000727212 [1,1,0,0,0,0|1,0,0]=3 4760 B14R1.34 CC(Cc1cccc(c1)F)NCCO 270004a_100000210304_100000687711 [1,1,0,0,0,0|1,0,0]=3 4761 B14R1.34 CCCCC(C)Nc1cccc(c1)Br 34a_100000210019_200011215066 [1,1,0,0,0,0|2,0,0]=4 4762 B14R1.34 CCCCC(C)Nc1cccc(c1)C 2230a_100000188690_200011215066 [1,1,0,0,0,0|2,0,0]=4 4763 B14R1.34 CCCCC(C)Nc1cccc(c1)C 34a_100000188690_200011215066 [1,1,0,0,0,0|2,0,0]=4 4764 B14R1.34 CCCCC(C)Nc1cccc(c1)Cl 34a_100000185859_200011215066 [1,1,0,0,0,0|2,0,0]=4 4765 B14R1.34 CCCCC(C)Nc1cccc(c1)F 34a_100000210047_200011215066 [1,1,0,0,0,0|2,0,0]=4 4766 B14R1.34 CCCCC(C)Nc1cccc(c1)I 34a_100000211102_200011215066 [1,1,0,0,0,0|2,0,0]=4 4767 B14R1.34 CCCCC(C)Nc1cccc(c1)O 34a_100000210217_200011215066 [1,1,0,0,0,0|2,0,0]=4 4768 B14R1.34 CCCCC(C)Oc1cccc(c1)Br 34a_100000210342_200011215066 [1,1,0,0,0,0|2,0,0]=4 4769 B14R1.34 CCCCC(C)Oc1cccc(c1)Br 7a_100000210342_200011215066 [1,1,0,0,0,0|2,0,0]=4 4770 B14R1.34 CCCCC(C)Oc1cccc(c1)C 34a_100000210337_200011215066 [1,1,0,0,0,0|2,0,0]=4 4771 B14R1.34 CCCCC(C)Oc1cccc(c1)C 7a_100000210337_200011215066 [1,1,0,0,0,0|2,0,0]=4 4772 B14R1.34 CCCCC(C)Oc1cccc(c1)Cl 34a_100000210295_200011215066 [1,1,0,0,0,0|2,0,0]=4 4773 B14R1.34 CCCCC(C)Oc1cccc(c1)Cl 7a_100000210295_200011215066 [1,1,0,0,0,0|2,0,0]=4 4774 B14R1.34 CCCCC(C)Oc1cccc(c1)F 34a_100000210426_200011215066 [1,1,0,0,0,0|2,0,0]=4 4775 B14R1.34 CCCCC(C)Oc1cccc(c1)F 7a_100000210426_200011215066 [1,1,0,0,0,0|2,0,0]=4 4776 B14R1.34 CCCCC(C)Oc1cccc(c1)I 34a_100000211634_200011215066 [1,1,0,0,0,0|2,0,0]=4 4777 B14R1.34 CCCCC(C)Oc1cccc(c1)I 7a_100000211634_200011215066 [1,1,0,0,0,0|2,0,0]=4 4778 B14R1.34 CCCCC(C)Oc1cccc(c1)N 34a_100000210217_200011215066 [1,1,0,0,0,0|2,0,0]=4 4779 B14R1.34 CCCCC(C)Sc1cccc(c1)Br 62a_100000691529_200011215066 [1,1,0,0,0,0|2,0,0]=4 4780 B14R1.34 CCCCC(C)Sc1cccc(c1)Br 62a_200011215066_100000691529 [1,1,0,0,0,0|2,0,0]=4 4781 B14R1.34 CCCCC(C)Sc1cccc(c1)C 62a_100011215228_200011215066 [1,1,0,0,0,0|2,0,0]=4 4782 B14R1.34 CCCCC(C)Sc1cccc(c1)C 62a_200011215066_100011215228 [1,1,0,0,0,0|2,0,0]=4 4783 B14R1.34 CCCCC(C)Sc1cccc(c1)Cl 62a_100000699651_200011215066 [1,1,0,0,0,0|2,0,0]=4 4784 B14R1.34 CCCCC(C)Sc1cccc(c1)Cl 62a_200011215066_100000699651 [1,1,0,0,0,0|2,0,0]=4 4785 B14R1.34 CCCCC(C)Sc1cccc(c1)F 62a_100000685547_200011215066 [1,1,0,0,0,0|2,0,0]=4 4786 B14R1.34 CCCCC(C)Sc1cccc(c1)F 62a_200011215066_100000685547 [1,1,0,0,0,0|2,0,0]=4 4787 B14R1.34 CCCCC(C)Sc1cccc(c1)N 62a_100000210019_200011215066 [1,1,0,0,0,0|2,0,0]=4 4788 B14R1.34 CCCCC(C)Sc1cccc(c1)N 62a_200011215066_100000210019 [1,1,0,0,0,0|2,0,0]=4 4789 B14R1.34 CCCCC(C)Sc1cccc(c1)O 62a_200011215066_100000211634 [1,1,0,0,0,0|2,0,0]=4 4790 B14R1.34 CCCCC(C)Sc1cccc(c1)[S] 62a_114929384022_200011215066 [1,1,0,0,0,0|2,0,0]=4 4791 B14R1.34 CCCCC(C)Sc1cccc(c1)[S] 62a_200011215066_114929384022 [1,1,0,0,0,0|2,0,0]=4 4792 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210211 [1,1,0,0,0,0|2,0,0]=4 4793 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100000207549_100000698116 [1,1,0,0,0,0|2,0,0]=4 4794 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100015186518_200000210301 [1,1,0,0,0,0|2,0,0]=4 4795 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210211 [1,1,0,0,0,0|2,0,0]=4 4796 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100000207549_100000211773 [1,1,0,0,0,0|2,0,0]=4 4797 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100015186518_200000210301 [1,1,0,0,0,0|2,0,0]=4 4798 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 26a_100000207549_100000210342 [1,1,0,0,0,0|2,0,0]=4 4799 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 270004a_100000207549_100000210085 [1,1,0,0,0,0|2,0,0]=4 4800 B14R1.34 CCCCN(C)Cc1cccc(c1)C 2230a_100000207549_100000211840 [1,1,0,0,0,0|2,0,0]=4 4801 B14R1.34 CCCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210211 [1,1,0,0,0,0|2,0,0]=4 4802 B14R1.34 CCCCN(C)Cc1cccc(c1)C 269982a_100000207549_100000211840 [1,1,0,0,0,0|2,0,0]=4 4803 B14R1.34 CCCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210211 [1,1,0,0,0,0|2,0,0]=4 4804 B14R1.34 CCCCN(C)Cc1cccc(c1)C 270004a_100000207549_100000211157 [1,1,0,0,0,0|2,0,0]=4 4805 B14R1.34 CCCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210210 [1,1,0,0,0,0|2,0,0]=4 4806 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_100000207549_100000181238 [1,1,0,0,0,0|2,0,0]=4 4807 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210211 [1,1,0,0,0,0|2,0,0]=4 4808 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_200015183148_200000210301 [1,1,0,0,0,0|2,0,0]=4 4809 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_100000207549_100000181238 [1,1,0,0,0,0|2,0,0]=4 4810 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210211 [1,1,0,0,0,0|2,0,0]=4 4811 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_200015183148_200000210301 [1,1,0,0,0,0|2,0,0]=4 4812 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 270004a_100000207549_100000210801 [1,1,0,0,0,0|2,0,0]=4 4813 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 34a_200015183148_200000210301 [1,1,0,0,0,0|2,0,0]=4 4814 B14R1.34 CCCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210211 [1,1,0,0,0,0|2,0,0]=4 4815 B14R1.34 CCCCN(C)Cc1cccc(c1)F 2230a_100000207549_100000230114 [1,1,0,0,0,0|2,0,0]=4 4816 B14R1.34 CCCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210211 [1,1,0,0,0,0|2,0,0]=4 4817 B14R1.34 CCCCN(C)Cc1cccc(c1)F 269982a_100000207549_100000230114 [1,1,0,0,0,0|2,0,0]=4 4818 B14R1.34 CCCCN(C)Cc1cccc(c1)F 270004a_100000207549_100000210812 [1,1,0,0,0,0|2,0,0]=4 4819 B14R1.34 CCCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210210 [1,1,0,0,0,0|2,0,0]=4 4820 B14R1.34 CCCCN(C)Cc1cccc(c1)I 2230a_100000207549_100011218688 [1,1,0,0,0,0|2,0,0]=4 4821 B14R1.34 CCCCN(C)Cc1cccc(c1)I 269982a_100000207549_100011218688 [1,1,0,0,0,0|2,0,0]=4 4822 B14R1.34 CCCCN(C)Cc1cccc(c1)I 270004a_100000207549_100000014684 [1,1,0,0,0,0|2,0,0]=4 4823 B14R1.34 CCCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210211 [1,1,0,0,0,0|2,0,0]=4 4824 B14R1.34 CCCCN(C)Cc1cccc(c1)O 2230a_100000207549_100011660834 [1,1,0,0,0,0|2,0,0]=4 4825 B14R1.34 CCCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210211 [1,1,0,0,0,0|2,0,0]=4 4826 B14R1.34 CCCCN(C)Cc1cccc(c1)O 269982a_100000207549_100000084143 [1,1,0,0,0,0|2,0,0]=4 4827 B14R1.34 CCCCN(C)Cc1cccc(c1)O 270004a_100000207549_100000188321 [1,1,0,0,0,0|2,0,0]=4 4828 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Br 2230a_100015186518_200025704644 [1,1,0,0,0,0|2,0,0]=4 4829 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Br 269982a_100015186518_200025704644 [1,1,0,0,0,0|2,0,0]=4 4830 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 2230a_200015183148_200025704644 [1,1,0,0,0,0|2,0,0]=4 4831 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 269982a_200015183148_200025704644 [1,1,0,0,0,0|2,0,0]=4 4832 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 34a_200015183148_200025704644 [1,1,0,0,0,0|2,0,0]=4 4833 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 11a_100020643023_100000747190 [1,1,0,0,0,0|1,0,1]=4 4834 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 240690a_100020643023_100000747190 [1,1,0,0,0,0|1,0,1]=4 4835 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 527a_100020643023_100000747190 [1,1,0,0,0,0|1,0,1]=4 4836 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 11a_100020643023_100011206899 [1,1,0,0,0,0|1,0,1]=4 4837 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 1626a_100020643023_100011206899 [1,1,0,0,0,0|1,0,1]=4 4838 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 240690a_100020643023_100011206899 [1,1,0,0,0,0|1,0,1]=4 4839 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 527a_100020643023_100011206899 [1,1,0,0,0,0|1,0,1]=4 4840 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 11a_100020643023_100000749307 [1,1,0,0,0,0|1,0,1]=4 4841 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 1626a_100020643023_100000749307 [1,1,0,0,0,0|1,0,1]=4 4842 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 240690a_100020643023_100000749307 [1,1,0,0,0,0|1,0,1]=4 4843 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 527a_100020643023_100000749307 [1,1,0,0,0,0|1,0,1]=4 4844 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 11a_100020643023_100000211661 [1,1,0,0,0,0|1,0,1]=4 4845 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 1626a_100020643023_100000211661 [1,1,0,0,0,0|1,0,1]=4 4846 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 240690a_100020643023_100000211661 [1,1,0,0,0,0|1,0,1]=4 4847 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 527a_100020643023_100000211661 [1,1,0,0,0,0|1,0,1]=4 4848 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 11a_100020643023_100000238430 [1,1,0,0,0,0|1,0,1]=4 4849 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 1626a_100020643023_100000238430 [1,1,0,0,0,0|1,0,1]=4 4850 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 240690a_100020643023_100000238430 [1,1,0,0,0,0|1,0,1]=4 4851 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 527a_100020643023_100000238430 [1,1,0,0,0,0|1,0,1]=4 4852 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 240690a_100020643023_100000745134 [1,1,0,0,0,0|1,0,1]=4 4853 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 527a_100020643023_100000745134 [1,1,0,0,0,0|1,0,1]=4 4854 B14R1.34 CCCNC(C)Cc1cc(ccn1)C 270004a_100020643023_200015184229 [1,1,0,0,0,0|1,0,0]=3 4855 B14R1.34 CCCNC(C)Cc1cccc(c1)Br 270004a_100020643023_100000689217 [1,1,0,0,0,0|0,0,0]=2 4856 B14R1.34 CCCNC(C)Cc1cccc(c1)Cl 270004a_100020643023_100000727212 [1,1,0,0,0,0|0,0,0]=2 4857 B14R1.34 CCCNC(C)Cc1cccc(c1)F 270004a_100020643023_100000687711 [1,1,0,0,0,0|0,0,0]=2 4858 B14R1.34 CCCOC(C)Cc1cccc(n1)C 34a_200015421231_100000210303 [1,1,0,0,0,0|2,0,0]=4 4859 B14R1.34 CN(CCCF)Cc1cccc(c1)Br 2230a_100000187585_100011934791 [1,1,0,0,0,0|1,1,0]=4 4860 B14R1.34 CN(CCCF)Cc1cccc(c1)Br 269982a_100000187585_100011934791 [1,1,0,0,0,0|1,1,0]=4 4861 B14R1.34 CN(CCCF)Cc1cccc(c1)Cl 2230a_100020629429_100011934791 [1,1,0,0,0,0|1,1,0]=4 4862 B14R1.34 CN(CCCF)Cc1cccc(c1)Cl 269982a_100020629429_100011934791 [1,1,0,0,0,0|1,1,0]=4 4863 B14R1.34 CN(CCCF)Cc1cccc(c1)F 2230a_100000184398_100011934791 [1,1,0,0,0,0|1,1,0]=4 4864 B14R1.34 CN(CCCF)Cc1cccc(c1)F 269982a_100000184398_100011934791 [1,1,0,0,0,0|1,1,0]=4 4865 B14R1.34 CN(CCCF)Cc1cccc(c1)F 34a_100000184398_100011934791 [1,1,0,0,0,0|1,1,0]=4 4866 B14R1.34 CN(CCCF)Cc1cccc(c1)O 2230a_100000207540_100011934791 [1,1,0,0,0,0|1,1,0]=4 4867 B14R1.34 CN(CCCF)Cc1cccc(c1)O 269982a_100000207540_100011934791 [1,1,0,0,0,0|1,1,0]=4 4868 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 2230a_100000187585_100000230001 [1,1,0,0,0,0|2,0,0]=4 4869 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 2230a_100000213112_100000698116 [1,1,0,0,0,0|2,0,0]=4 4870 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 269982a_100000187585_100011215043 [1,1,0,0,0,0|2,0,0]=4 4871 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 269982a_100000213112_100000211773 [1,1,0,0,0,0|2,0,0]=4 4872 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 26a_100000213112_100000210342 [1,1,0,0,0,0|2,0,0]=4 4873 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 270004a_100000213112_100000210085 [1,1,0,0,0,0|2,0,0]=4 4874 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 2230a_100000213112_100000181238 [1,1,0,0,0,0|2,0,0]=4 4875 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 2230a_100020629429_100000230001 [1,1,0,0,0,0|2,0,0]=4 4876 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 269982a_100000213112_100000181238 [1,1,0,0,0,0|2,0,0]=4 4877 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 269982a_100020629429_100011215043 [1,1,0,0,0,0|2,0,0]=4 4878 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 270004a_100000213112_100000210801 [1,1,0,0,0,0|2,0,0]=4 4879 B14R1.34 CN(CCCO)Cc1cccc(c1)F 2230a_100000184398_100000230001 [1,1,0,0,0,0|2,0,0]=4 4880 B14R1.34 CN(CCCO)Cc1cccc(c1)F 2230a_100000213112_100000230114 [1,1,0,0,0,0|2,0,0]=4 4881 B14R1.34 CN(CCCO)Cc1cccc(c1)F 269982a_100000184398_100011215043 [1,1,0,0,0,0|2,0,0]=4 4882 B14R1.34 CN(CCCO)Cc1cccc(c1)F 269982a_100000213112_100000230114 [1,1,0,0,0,0|2,0,0]=4 4883 B14R1.34 CN(CCCO)Cc1cccc(c1)F 270004a_100000213112_100000210812 [1,1,0,0,0,0|2,0,0]=4 4884 B14R1.34 CN(CCCO)Cc1cccc(c1)F 34a_100000184398_100000230001 [1,1,0,0,0,0|2,0,0]=4 4885 B14R1.34 CN(CCCO)Cc1cccc(c1)I 2230a_100000213112_100011218688 [1,1,0,0,0,0|2,0,0]=4 4886 B14R1.34 CN(CCCO)Cc1cccc(c1)I 269982a_100000213112_100011218688 [1,1,0,0,0,0|2,0,0]=4 4887 B14R1.34 CN(CCCO)Cc1cccc(c1)I 270004a_100000213112_100000014684 [1,1,0,0,0,0|2,0,0]=4 4888 B14R1.34 CN(CCCO)Cc1cccc(c1)O 2230a_100000207540_100000230001 [1,1,0,0,0,0|2,0,0]=4 4889 B14R1.34 CN(CCCO)Cc1cccc(c1)O 2230a_100000213112_100011660834 [1,1,0,0,0,0|2,0,0]=4 4890 B14R1.34 CN(CCCO)Cc1cccc(c1)O 269982a_100000207540_100011215043 [1,1,0,0,0,0|2,0,0]=4 4891 B14R1.34 CN(CCCO)Cc1cccc(c1)O 269982a_100000213112_100000084143 [1,1,0,0,0,0|2,0,0]=4 4892 B14R1.34 CN(CCCO)Cc1cccc(c1)O 270004a_100000213112_100000188321 [1,1,0,0,0,0|2,0,0]=4 4893 B14R1.34 Cc1cccc(c1)CN(C)CCCF 2230a_102495364743_100011934791 [1,1,0,0,0,0|1,1,0]=4 4894 B14R1.34 Cc1cccc(c1)CN(C)CCCF 269982a_102495364743_100011934791 [1,1,0,0,0,0|1,1,0]=4 4895 B14R1.34 Cc1cccc(c1)CN(C)CCCF 34a_102495364743_100011934791 [1,1,0,0,0,0|1,1,0]=4 4896 B14R1.34 Cc1cccc(c1)CN(C)CCCO 2230a_100000213112_100000211840 [1,1,0,0,0,0|2,0,0]=4 4897 B14R1.34 Cc1cccc(c1)CN(C)CCCO 2230a_102495364743_100000230001 [1,1,0,0,0,0|2,0,0]=4 4898 B14R1.34 Cc1cccc(c1)CN(C)CCCO 269982a_100000213112_100000211840 [1,1,0,0,0,0|2,0,0]=4 4899 B14R1.34 Cc1cccc(c1)CN(C)CCCO 269982a_102495364743_100011215043 [1,1,0,0,0,0|2,0,0]=4 4900 B14R1.34 Cc1cccc(c1)CN(C)CCCO 270004a_100000213112_100000211157 [1,1,0,0,0,0|2,0,0]=4 4901 B14R1.34 Cc1cccc(c1)CN(C)CCCO 34a_102495364743_100000230001 [1,1,0,0,0,0|2,0,0]=4 4902 B14R1.34 Cc1ccnc(c1)CC(C)NCCO 270004a_100000210304_200015184229 [1,1,0,0,0,0|2,0,0]=4 4903 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 2230a_100000705463_200000210301 [1,1,0,0,0,0|0,0,2]=4 4904 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 269982a_100000705463_200000210301 [1,1,0,0,0,0|0,0,2]=4 4905 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000225692_200011218536 [1,1,0,0,0,0|0,0,2]=4 4906 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000705463_200000210301 [1,1,0,0,0,0|0,0,2]=4 4907 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 2230a_100000705463_200025704644 [1,1,0,0,0,0|0,0,2]=4 4908 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 269982a_100000705463_200025704644 [1,1,0,0,0,0|0,0,2]=4 4909 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 34a_100000705463_200025704644 [1,1,0,0,0,0|0,0,2]=4 4910 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 269982a_100000225617_200011218536 [1,1,0,0,0,0|0,0,2]=4 4911 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000186898_100009893172 [1,1,0,0,0,0|2,0,0]=4 4912 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000731037_100015291786 [1,1,0,0,0,0|2,0,0]=4 4913 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000186898_100009893172 [1,1,0,0,0,0|2,0,0]=4 4914 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000731037_100000211182 [1,1,0,0,0,0|2,0,0]=4 4915 B14R1.60 CC(CCO)N(C)Cc1ccccc1 270004a_100000731037_100015611070 [1,1,0,0,0,0|2,0,0]=4 4916 B14R1.60 CC(C[n+]1ccccc1)N(C)CCO 270004a_100000210263_100000034229 [1,1,0,0,0,0|2,0,0]=4 4917 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [1,1,0,0,0,0|0,1,1]=4 4918 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [1,1,0,0,0,0|1,0,1]=4 4919 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [1,1,0,0,0,0|1,0,1]=4 4920 B14R1.60 CC(Cc1ccccc1)N(C)CCO 269982a_100000210263_200011218536 [1,1,0,0,0,0|1,0,0]=3 4921 B14R1.60 CC(Cc1ccccn1)N(C)CCF 2230a_200011351704_100011217306 [1,1,0,0,0,0|1,1,0]=4 4922 B14R1.60 CC(Cc1ccccn1)N(C)CCF 269982a_200011351704_100011217306 [1,1,0,0,0,0|1,1,0]=4 4923 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2230a_200011351704_100000211926 [1,1,0,0,0,0|2,0,0]=4 4924 B14R1.60 CC(Cc1ccccn1)N(C)CCO 269982a_200011351704_100000211926 [1,1,0,0,0,0|2,0,0]=4 4925 B14R1.60 CC(Cc1cccnc1)N(C)CCO 270004a_100000210263_100015187140 [1,1,0,0,0,0|2,0,0]=4 4926 B14R1.60 CC(Cc1ccncc1)N(C)CCO 270004a_100000210263_100000238508 [1,1,0,0,0,0|2,0,0]=4 4927 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [1,1,0,0,0,0|1,0,0]=3 4928 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [1,1,0,0,0,0|1,0,0]=3 4929 B14R1.60 CCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210303 [1,1,0,0,0,0|2,0,0]=4 4930 B14R1.60 CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210303 [1,1,0,0,0,0|2,0,0]=4 4931 B14R1.60 CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210303 [1,1,0,0,0,0|2,0,0]=4 4932 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000211992 [1,1,0,0,0,0|2,0,0]=4 4933 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000211992 [1,1,0,0,0,0|2,0,0]=4 4934 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000211992 [1,1,0,0,0,0|2,0,0]=4 4935 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000211992 [1,1,0,0,0,0|2,0,0]=4 4936 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [1,1,0,0,0,0|2,0,0]=4 4937 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000766640 [1,1,0,0,0,0|2,0,0]=4 4938 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_200015183821_200000210301 [1,1,0,0,0,0|2,0,0]=4 4939 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000766640 [1,1,0,0,0,0|2,0,0]=4 4940 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_200015183821_200000210301 [1,1,0,0,0,0|2,0,0]=4 4941 B14R1.60 CCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000211909 [1,1,0,0,0,0|2,0,0]=4 4942 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 2230a_200015183821_200025704644 [1,1,0,0,0,0|2,0,0]=4 4943 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 269982a_200015183821_200025704644 [1,1,0,0,0,0|2,0,0]=4 4944 B14R1.60 CCCN(C)C(C)C[n+]1ccccc1 270004a_100000747261_100000034229 [1,1,0,0,0,0|1,0,0]=3 4945 B14R1.60 CCCN(C)C(C)Cc1ccccc1 269982a_100000747261_200011218536 [1,1,0,0,0,0|0,0,0]=2 4946 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210303 [1,1,0,0,0,0|1,0,0]=3 4947 B14R1.60 CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210303 [1,1,0,0,0,0|1,0,0]=3 4948 B14R1.60 CCCN(C)C(C)Cc1cccnc1 270004a_100000747261_100015187140 [1,1,0,0,0,0|1,0,0]=3 4949 B14R1.60 CCCN(C)C(C)Cc1ccncc1 270004a_100000747261_100000238508 [1,1,0,0,0,0|1,0,0]=3 4950 B14R1.60 CCCN(C)C(C)Cc1cnccn1 270004a_100000747261_100015184882 [1,1,0,0,0,0|2,0,0]=4 4951 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [1,1,0,0,0,0|2,0,0]=4 4952 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [1,1,0,0,0,0|2,0,0]=4 4953 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [1,1,0,0,0,0|2,0,0]=4 4954 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [1,1,0,0,0,0|2,0,0]=4 4955 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [1,1,0,0,0,0|2,0,0]=4 4956 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [1,1,0,0,0,0|2,0,0]=4 4957 B14R1.60 COCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000766300 [1,1,0,0,0,0|2,0,0]=4 4958 B14R1.60 COCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000766300 [1,1,0,0,0,0|2,0,0]=4 4959 B14R1.60 CSCC(=O)C(C)Cc1ccccc1 1458a_100000184570_200011218536 [1,1,0,0,0,0|2,0,0]=4 4960 B14R1.60 CSCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218213 [1,1,0,0,0,0|2,0,0]=4 4961 B14R1.60 CSCN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218213 [1,1,0,0,0,0|2,0,0]=4 4962 B14R1.166 CC(NCCO)C(=O)c1ccccc1 2230a_100016997473_100000239700 [1,1,0,0,0,0|1,0,1]=4 4963 B14R1.166 CC(c1ccccc1)N(C)CCCF 2230a_100000195388_100011934791 [1,1,0,0,0,0|1,1,0]=4 4964 B14R1.166 CC(c1ccccc1)N(C)CCCF 269982a_100000195388_100011934791 [1,1,0,0,0,0|1,1,0]=4 4965 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000185500_200000210301 [1,1,0,0,0,0|2,0,0]=4 4966 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000195388_100000230001 [1,1,0,0,0,0|2,0,0]=4 4967 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000213112_100000230085 [1,1,0,0,0,0|2,0,0]=4 4968 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000185500_200000210301 [1,1,0,0,0,0|2,0,0]=4 4969 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000195388_100011215043 [1,1,0,0,0,0|2,0,0]=4 4970 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000213112_100000230085 [1,1,0,0,0,0|2,0,0]=4 4971 B14R1.166 CC(c1ccccc1)N([13CH3])CCCO 2230a_100000185500_200025704644 [1,1,0,0,0,0|2,0,0]=4 4972 B14R1.166 CC(c1ccccc1)N([13CH3])CCCO 269982a_100000185500_200025704644 [1,1,0,0,0,0|2,0,0]=4 4973 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [1,1,0,0,0,0|1,0,1]=4 4974 B14R1.166 CCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011215066 [1,1,0,0,0,0|2,0,0]=4 4975 B14R1.166 CCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011215066 [1,1,0,0,0,0|2,0,0]=4 4976 B14R1.166 CCCCC(C)N(C)c1ccccc1 34a_100000210012_200011215066 [1,1,0,0,0,0|2,0,0]=4 4977 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210211 [1,1,0,0,0,0|2,0,0]=4 4978 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000207549_100000230085 [1,1,0,0,0,0|2,0,0]=4 4979 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210211 [1,1,0,0,0,0|2,0,0]=4 4980 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000207549_100000230085 [1,1,0,0,0,0|2,0,0]=4 4981 B14R1.166 CCCNC(=O)C(F)c1ccccc1 11a_100020643023_100000698975 [1,1,0,0,0,0|1,0,1]=4 4982 B14R1.166 CCCNC(=O)C(F)c1ccccc1 1626a_100020643023_100000698975 [1,1,0,0,0,0|1,0,1]=4 4983 B14R1.166 CCCNC(=O)C(F)c1ccccc1 240690a_100020643023_100000698975 [1,1,0,0,0,0|1,0,1]=4 4984 B14R1.166 CCCNC(=O)C(F)c1ccccc1 527a_100020643023_100000698975 [1,1,0,0,0,0|1,0,1]=4 4985 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 11a_100020643023_100000751047 [1,1,0,0,0,0|1,0,1]=4 4986 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 1626a_100020643023_100000751047 [1,1,0,0,0,0|1,0,1]=4 4987 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 240690a_100020643023_100000751047 [1,1,0,0,0,0|1,0,1]=4 4988 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 527a_100020643023_100000751047 [1,1,0,0,0,0|1,0,1]=4 4989 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 240690a_100020643023_100000684486 [1,1,0,0,0,0|1,0,1]=4 4990 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [1,1,0,0,0,0|1,0,0]=3 4991 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000210303_100000239700 [1,1,0,0,0,0|1,0,1]=4 4992 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210303 [1,1,0,0,0,0|1,0,1]=4 4993 B14R1.166 CSCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011218213 [1,1,0,0,0,0|2,0,0]=4 4994 B14R1.166 C[C@H](OCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011217306 [1,1,0,0,0,0|1,1,0]=4 4995 B14R1.166 C[C@H](OCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000211926 [1,1,0,0,0,0|2,0,0]=4 4996 B14R1.423 C=C(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000748629 [1,1,0,0,0,0|1,0,1]=4 4997 B14R1.423 C=C(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000748629 [1,1,0,0,0,0|1,0,1]=4 4998 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000210245_200011218536 [1,1,0,0,0,0|1,0,1]=4 4999 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000748627_100000748629 [1,1,0,0,0,0|1,0,1]=4 5000 B14R1.423 C=C(C)COC(C)Cc1ccccc1 7a_100000748627_100000748629 [1,1,0,0,0,0|1,0,1]=4 5001 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_100000748629_200011218536 [1,1,0,0,0,0|1,0,1]=4 5002 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_200011218536_100000211660 [1,1,0,0,0,0|1,0,1]=4 5003 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [1,1,0,0,0,0|1,0,1]=4 5004 B14R1.423 CC(Br)COC(C)Cc1ccccc1 34a_100012180447_200011218536 [1,1,0,0,0,0|1,0,0]=3 5005 B14R1.423 CC(C)CCC(C)Nc1ccccc1 34a_100000106764_100011261404 [1,1,0,0,0,0|2,0,0]=4 5006 B14R1.423 CC(C)CCC(C)Oc1ccccc1 34a_100000210340_100011261404 [1,1,0,0,0,0|2,0,0]=4 5007 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100000719477_100011261404 [1,1,0,0,0,0|2,0,0]=4 5008 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100011261404_100000041952 [1,1,0,0,0,0|2,0,0]=4 5009 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000186898_100000210312 [1,1,0,0,0,0|2,0,0]=4 5010 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000742789_100015291786 [1,1,0,0,0,0|2,0,0]=4 5011 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000186898_100000210312 [1,1,0,0,0,0|2,0,0]=4 5012 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000742789_100000211182 [1,1,0,0,0,0|2,0,0]=4 5013 B14R1.423 CC(C)CCN(C)Cc1ccccc1 270004a_100000742789_100015611070 [1,1,0,0,0,0|2,0,0]=4 5014 B14R1.423 CC(C)CNC(C)C[n+]1ccccc1 270004a_100000210953_100000034229 [1,1,0,0,0,0|1,0,0]=3 5015 B14R1.423 CC(C)CNC(C)Cc1ccccc1 34a_100000210953_200011218536 [1,1,0,0,0,0|0,0,0]=2 5016 B14R1.423 CC(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000210760 [1,1,0,0,0,0|1,0,0]=3 5017 B14R1.423 CC(C)CNC(C)Cc1ccccn1 270004a_100000238496_100000210432 [1,1,0,0,0,0|1,0,0]=3 5018 B14R1.423 CC(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000210760 [1,1,0,0,0,0|1,0,0]=3 5019 B14R1.423 CC(C)CNC(C)Cc1cccnc1 270004a_100000210953_100015187140 [1,1,0,0,0,0|1,0,0]=3 5020 B14R1.423 CC(C)CNC(C)Cc1cccnc1 270004a_100011207255_100000210432 [1,1,0,0,0,0|1,0,0]=3 5021 B14R1.423 CC(C)CNC(C)Cc1ccncc1 270004a_100000210953_100000238508 [1,1,0,0,0,0|1,0,0]=3 5022 B14R1.423 CC(C)CNC(C)Cc1cnccn1 2230a_100011277835_100000210760 [1,1,0,0,0,0|2,0,0]=4 5023 B14R1.423 CC(C)CNC(C)Cc1cnccn1 270004a_100000210953_100015184882 [1,1,0,0,0,0|2,0,0]=4 5024 B14R1.423 CC(C)CNC(C)Cc1cnccn1 270004a_100011277835_100000210432 [1,1,0,0,0,0|2,0,0]=4 5025 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [1,1,0,0,0,0|1,0,0]=3 5026 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [1,1,0,0,0,0|1,0,0]=3 5027 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [1,1,0,0,0,0|1,0,0]=3 5028 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_100000210624_200011218536 [1,1,0,0,0,0|1,0,0]=3 5029 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000210760 [1,1,0,0,0,0|1,0,0]=3 5030 B14R1.423 CC(COC(C)C)Cc1ccccc1 34a_100012125295_100000210206 [1,1,0,0,0,0|2,0,0]=4 5031 B14R1.423 CC(COC(C)C)Cc1ccccc1 7a_100012125295_100000210206 [1,1,0,0,0,0|2,0,0]=4 5032 B14R1.423 CC(C[n+]1ccccc1)NCC(F)F 270004a_100000765723_100000034229 [1,1,0,0,0,0|1,1,0]=4 5033 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [1,1,0,0,0,0|1,0,1]=4 5034 B14R1.423 CC(Cc1ccccc1)NCC(F)F 34a_100000765723_200011218536 [1,1,0,0,0,0|0,1,0]=3 5035 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000743014_200011218536 [1,1,0,0,0,0|1,1,0]=4 5036 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000748627_100011934356 [1,1,0,0,0,0|1,1,0]=4 5037 B14R1.423 CC(Cc1ccccc1)OCC(F)F 7a_100000748627_100011934356 [1,1,0,0,0,0|1,1,0]=4 5038 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200011218536 [1,1,0,0,0,0|1,0,0]=3 5039 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)N 34a_100000737577_200011218536 [1,1,0,0,0,0|1,0,0]=3 5040 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [1,1,0,0,0,0|1,0,0]=3 5041 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [1,1,0,0,0,0|1,0,0]=3 5042 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_100011934356_200011218536 [1,1,0,0,0,0|1,1,0]=4 5043 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_200011218536_100011934356 [1,1,0,0,0,0|1,1,0]=4 5044 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_100009817552_200011218536 [1,1,0,0,0,0|1,0,0]=3 5045 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_200011218536_100009817552 [1,1,0,0,0,0|1,0,0]=3 5046 B14R1.423 CC(Cc1ccccn1)NCC(F)F 2230a_100000238496_100011934356 [1,1,0,0,0,0|1,1,0]=4 5047 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O 2230a_100000238496_100009817552 [1,1,0,0,0,0|1,0,0]=3 5048 B14R1.423 CC(Cc1cccnc1)NCC(F)F 2230a_100011207255_100011934356 [1,1,0,0,0,0|1,1,0]=4 5049 B14R1.423 CC(Cc1cccnc1)NCC(F)F 270004a_100000765723_100015187140 [1,1,0,0,0,0|1,1,0]=4 5050 B14R1.423 CC(Cc1cccnc1)NC[C@@H](C)O 2230a_100011207255_100009817552 [1,1,0,0,0,0|1,0,0]=3 5051 B14R1.423 CC(Cc1ccncc1)NCC(F)F 270004a_100000765723_100000238508 [1,1,0,0,0,0|1,1,0]=4 5052 B14R1.423 CC(Cc1cnccn1)NC[C@@H](C)O 2230a_100011277835_100009817552 [1,1,0,0,0,0|2,0,0]=4 5053 B14R1.423 CC(F)COC(C)Cc1ccccc1 34a_100015925927_200011218536 [1,1,0,0,0,0|1,0,0]=3 5054 B14R1.423 CC(O)CCN(C)Cc1ccccc1 2230a_100000186898_100012276601 [1,1,0,0,0,0|2,0,0]=4 5055 B14R1.423 CC(O)CCN(C)Cc1ccccc1 269982a_100000186898_100012276601 [1,1,0,0,0,0|2,0,0]=4 5056 B14R1.423 CC(O)CNC(C)C[n+]1ccccc1 270004a_100000210904_100000034229 [1,1,0,0,0,0|1,0,0]=3 5057 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [1,1,0,0,0,0|0,0,0]=2 5058 B14R1.423 CC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100011218427 [1,1,0,0,0,0|1,0,0]=3 5059 B14R1.423 CC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100011218427 [1,1,0,0,0,0|1,0,0]=3 5060 B14R1.423 CC(O)CNC(C)Cc1cccnc1 270004a_100000210904_100015187140 [1,1,0,0,0,0|1,0,0]=3 5061 B14R1.423 CC(O)CNC(C)Cc1ccncc1 270004a_100000210904_100000238508 [1,1,0,0,0,0|1,0,0]=3 5062 B14R1.423 CC(O)CNC(C)Cc1cnccn1 2230a_100011277835_100011218427 [1,1,0,0,0,0|2,0,0]=4 5063 B14R1.423 CC(O)CNC(C)Cc1cnccn1 270004a_100000210904_100015184882 [1,1,0,0,0,0|2,0,0]=4 5064 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [1,1,0,0,0,0|1,0,0]=3 5065 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [1,1,0,0,0,0|1,0,0]=3 5066 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_100011218427_200011218536 [1,1,0,0,0,0|1,0,0]=3 5067 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218427 [1,1,0,0,0,0|1,0,0]=3 5068 B14R1.467 C#CC(Cc1ccccc1)OCCC 34a_100000685211_100000210303 [1,1,0,0,0,0|1,0,1]=4 5069 B14R1.467 C#CC(Cc1ccccc1)OCCC 7a_100000685211_100000210303 [1,1,0,0,0,0|1,0,1]=4 5070 B14R1.467 C#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000038162 [1,1,0,0,0,0|0,0,2]=4 5071 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [1,1,0,0,0,0|0,0,2]=4 5072 B14R1.467 C=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210623 [1,1,0,0,0,0|0,0,2]=4 5073 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [1,1,0,0,0,0|1,0,0]=3 5074 B14R1.467 CCC(Cc1ccccc1)OCCF 7a_100000760156_100011217306 [1,1,0,0,0,0|1,1,0]=4 5075 B14R1.467 CCC(Cc1ccccc1)OCCO 7a_100000760156_100000211926 [1,1,0,0,0,0|2,0,0]=4 5076 B14R1.467 CCCCC(CC)Nc1ccccc1 34a_100000106764_200011216223 [1,1,0,0,0,0|2,0,0]=4 5077 B14R1.467 CCCCC(CC)Oc1ccccc1 34a_100000210340_200011216223 [1,1,0,0,0,0|2,0,0]=4 5078 B14R1.467 CCCCC(CC)Oc1ccccc1 7a_100000210340_200011216223 [1,1,0,0,0,0|2,0,0]=4 5079 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_100000719477_200011216223 [1,1,0,0,0,0|2,0,0]=4 5080 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_200011216223_100000041952 [1,1,0,0,0,0|2,0,0]=4 5081 B14R1.467 CCCCC(Cc1ccccc1)NC 270004a_106832991635_200011218368 [1,1,0,0,0,0|1,0,0]=3 5082 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210211 [1,1,0,0,0,0|2,0,0]=4 5083 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000207695_100015291786 [1,1,0,0,0,0|2,0,0]=4 5084 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_200000196024_100000210202 [1,1,0,0,0,0|2,0,0]=4 5085 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210211 [1,1,0,0,0,0|2,0,0]=4 5086 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000207695_100000211182 [1,1,0,0,0,0|2,0,0]=4 5087 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_200000196024_100000204670 [1,1,0,0,0,0|2,0,0]=4 5088 B14R1.467 CCCCN(CC)Cc1ccccc1 270004a_100000207695_100015611070 [1,1,0,0,0,0|2,0,0]=4 5089 B14R1.467 CCCCN(CF)Cc1ccccc1 269982a_200000196024_100015361967 [1,1,0,0,0,0|2,0,0]=4 5090 B14R1.467 CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210303 [1,1,0,0,0,0|0,0,1]=3 5091 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [1,1,0,0,0,0|0,0,0]=2 5092 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [1,1,0,0,0,0|0,0,0]=2 5093 B14R1.467 CCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210303 [1,1,0,0,0,0|1,0,0]=3 5094 B14R1.467 CCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210303 [1,1,0,0,0,0|1,0,0]=3 5095 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [1,1,0,0,0,0|1,0,0]=3 5096 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [1,1,0,0,0,0|1,0,0]=3 5097 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [1,1,0,0,0,0|1,0,0]=3 5098 B14R1.467 CCCSC(C#N)Cc1ccccc1 62a_100000183401_100000210303 [1,1,0,0,0,0|1,0,1]=4 5099 B14R1.467 CCCSC(C#N)Cc1ccccc1 62a_100000210303_100000183401 [1,1,0,0,0,0|1,0,1]=4 5100 B14R1.467 CCN(CCCF)Cc1ccccc1 2230a_100000186914_100011934791 [1,1,0,0,0,0|1,1,0]=4 5101 B14R1.467 CCN(CCCF)Cc1ccccc1 269982a_100000186914_100011934791 [1,1,0,0,0,0|1,1,0]=4 5102 B14R1.467 CCN(CCCO)Cc1ccccc1 2230a_100000185501_100000210202 [1,1,0,0,0,0|2,0,0]=4 5103 B14R1.467 CCN(CCCO)Cc1ccccc1 2230a_100000186914_100000230001 [1,1,0,0,0,0|2,0,0]=4 5104 B14R1.467 CCN(CCCO)Cc1ccccc1 269982a_100000185501_100000204670 [1,1,0,0,0,0|2,0,0]=4 5105 B14R1.467 CCN(CCCO)Cc1ccccc1 269982a_100000186914_100011215043 [1,1,0,0,0,0|2,0,0]=4 5106 B14R1.467 CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210202 [1,1,0,0,0,0|2,0,0]=4 5107 B14R1.467 CCOCC(CN)Cc1ccccc1 34a_100160572655_100000210202 [1,1,0,0,0,0|2,0,0]=4 5108 B14R1.467 CCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000210202 [1,1,0,0,0,0|2,0,0]=4 5109 B14R1.467 CN[C@H](COCF)Cc1ccccc1 34a_100016995599_100015361967 [1,1,0,0,0,0|1,1,0]=4 5110 B14R1.467 COCNC(C#N)Cc1ccccc1 2230a_100000746547_100000766300 [1,1,0,0,0,0|1,0,1]=4 5111 B14R1.467 COCNC(CO)Cc1ccccc1 2230a_100000739027_100000766300 [1,1,0,0,0,0|1,0,0]=3 5112 B14R1.467 COCNC(CO)Cc1cccnc1 2230a_100000717814_100000766300 [1,1,0,0,0,0|2,0,0]=4 5113 B14R1.467 COCNC(CO)Cc1ccncc1 2230a_100000717866_100000766300 [1,1,0,0,0,0|2,0,0]=4 5114 B14R1.467 CSCNC(C#N)Cc1ccccc1 2230a_100000746547_100011218213 [1,1,0,0,0,0|1,0,1]=4 5115 B14R1.467 CSCNC(CO)Cc1ccccc1 2230a_100000739027_100011218213 [1,1,0,0,0,0|1,0,0]=3 5116 B14R1.467 CSCNC(CO)Cc1cccnc1 2230a_100000717814_100011218213 [1,1,0,0,0,0|2,0,0]=4 5117 B14R1.467 CSCNC(CO)Cc1ccncc1 2230a_100000717866_100011218213 [1,1,0,0,0,0|2,0,0]=4 5118 B14R1.467 CSCOC(CN)Cc1ccccc1 34a_100000752270_100011218213 [1,1,0,0,0,0|2,0,0]=4 5119 B14R1.467 FCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011217306 [1,1,0,0,0,0|1,1,0]=4 5120 B14R1.467 N#CC(Cc1ccccc1)NCCF 2230a_100000746547_100011217306 [1,1,0,0,0,0|0,1,1]=4 5121 B14R1.467 N#CC(Cc1ccccc1)NCCO 2230a_100000746547_100000211926 [1,1,0,0,0,0|1,0,1]=4 5122 B14R1.467 N#CCNC(CO)Cc1ccccc1 2230a_100000739027_100011215382 [1,1,0,0,0,0|1,0,1]=4 5123 B14R1.467 NCC(COCF)Cc1ccccc1 34a_100160572655_100015361967 [1,1,0,0,0,0|1,1,0]=4 5124 B14R1.467 NCC(Cc1ccccc1)OCCF 34a_100000752270_100011217306 [1,1,0,0,0,0|1,1,0]=4 5125 B14R1.467 NCC(Cc1ccccc1)OCCO 34a_100000752270_100000211926 [1,1,0,0,0,0|2,0,0]=4 5126 B14R1.467 O=CCNC(CO)Cc1ccccc1 2230a_100000739027_200015260668 [1,1,0,0,0,0|1,0,1]=4 5127 B14R1.467 OCC(CNCF)Cc1ccccc1 34a_100160572655_100015361967 [1,1,0,0,0,0|1,1,0]=4 5128 B14R1.467 OCC(Cc1ccccc1)NCCF 2230a_100000739027_100011217306 [1,1,0,0,0,0|0,1,0]=3 5129 B14R1.467 OCC(Cc1cccnc1)NCCF 2230a_100000717814_100011217306 [1,1,0,0,0,0|1,1,0]=4 5130 B14R1.467 OCC(Cc1ccncc1)NCCF 2230a_100000717866_100011217306 [1,1,0,0,0,0|1,1,0]=4 5131 B14R1.467 OCCCN(CF)Cc1ccccc1 269982a_100000185501_100015361967 [1,1,0,0,0,0|2,0,0]=4 5132 B14R1.467 OCCNC(CO)Cc1ccccc1 2230a_100000739027_100000211926 [1,1,0,0,0,0|1,0,0]=3 5133 B14R1.467 OCCNC(CO)Cc1cccnc1 2230a_100000717814_100000211926 [1,1,0,0,0,0|2,0,0]=4 5134 B14R1.467 OCCNC(CO)Cc1ccncc1 2230a_100000717866_100000211926 [1,1,0,0,0,0|2,0,0]=4 5135 B14R1.467 OCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000211926 [1,1,0,0,0,0|2,0,0]=4 5136 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 34a_100000707721_200011218536 [1,1,0,0,0,0|0,0,2]=4 5137 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [1,1,0,0,0,0|1,1,0]=4 5138 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [1,1,0,0,0,0|1,1,0]=4 5139 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [1,1,0,0,0,0|2,0,0]=4 5140 B14R1.743 CC(CO)CN(C)Cc1ccccc1 2230a_100015184949_200000210301 [1,1,0,0,0,0|2,0,0]=4 5141 B14R1.743 CC(CO)CN(C)Cc1ccccc1 269982a_100015184949_200000210301 [1,1,0,0,0,0|2,0,0]=4 5142 B14R1.743 CC(CO)CN(C)Cc1ccccc1 34a_100015184949_200000210301 [1,1,0,0,0,0|2,0,0]=4 5143 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 2230a_100015184949_200025704644 [1,1,0,0,0,0|2,0,0]=4 5144 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 269982a_100015184949_200025704644 [1,1,0,0,0,0|2,0,0]=4 5145 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 34a_100015184949_200025704644 [1,1,0,0,0,0|2,0,0]=4 5146 B14R1.743 CC(CO)NC(C)Cc1ccccn1 2230a_100000238496_100012180447 [1,1,0,0,0,0|2,0,0]=4 5147 B14R1.743 CC(CO)NC(C)Cc1cccnc1 2230a_100011207255_100012180447 [1,1,0,0,0,0|2,0,0]=4 5148 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [1,1,0,0,0,0|2,0,0]=4 5149 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [1,1,0,0,0,0|2,0,0]=4 5150 B14R1.743 CC(CO)SC(C)Cc1ccccc1 62a_100012180447_200011218536 [1,1,0,0,0,0|2,0,0]=4 5151 B14R1.743 CC(C[n+]1ccccc1)N[C@H](C)CF 270004a_100102880703_100000034229 [1,1,0,0,0,0|1,1,0]=4 5152 B14R1.743 CC(C[n+]1ccccc1)N[C@H](C)CO 270004a_100000737577_100000034229 [1,1,0,0,0,0|2,0,0]=4 5153 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_100016084084_200011218536 [1,1,0,0,0,0|2,0,0]=4 5154 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_200011218536_100016084084 [1,1,0,0,0,0|2,0,0]=4 5155 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CF 270004a_100102880703_100015187140 [1,1,0,0,0,0|1,1,0]=4 5156 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CO 270004a_100000737577_100015187140 [1,1,0,0,0,0|2,0,0]=4 5157 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CF 270004a_100102880703_100000238508 [1,1,0,0,0,0|1,1,0]=4 5158 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CO 270004a_100000737577_100000238508 [1,1,0,0,0,0|2,0,0]=4 5159 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000210414 [1,1,0,0,0,0|1,0,1]=4 5160 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000210414 [1,1,0,0,0,0|1,0,1]=4 5161 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000210414 [1,1,0,0,0,0|1,0,1]=4 5162 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000210414 [1,1,0,0,0,0|1,0,1]=4 5163 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000210414 [1,1,0,0,0,0|1,0,1]=4 5164 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000210414 [1,1,0,0,0,0|1,0,1]=4 5165 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000210414 [1,1,0,0,0,0|1,0,1]=4 5166 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000210414 [1,1,0,0,0,0|1,0,1]=4 5167 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748023 [1,1,0,0,0,0|2,0,0]=4 5168 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000753921_100015291786 [1,1,0,0,0,0|2,0,0]=4 5169 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748023 [1,1,0,0,0,0|2,0,0]=4 5170 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000753921_100000211182 [1,1,0,0,0,0|2,0,0]=4 5171 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243153 [1,1,0,0,0,0|2,0,0]=4 5172 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000753921_100015611070 [1,1,0,0,0,0|2,0,0]=4 5173 B14R1.743 CCC(C)NC(C)C[n+]1ccccc1 270004a_100000209981_100000034229 [1,1,0,0,0,0|1,0,0]=3 5174 B14R1.743 CCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000758301 [1,1,0,0,0,0|1,0,0]=3 5175 B14R1.743 CCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000758301 [1,1,0,0,0,0|1,0,0]=3 5176 B14R1.743 CCC(C)NC(C)Cc1cccnc1 270004a_100000209981_100015187140 [1,1,0,0,0,0|1,0,0]=3 5177 B14R1.743 CCC(C)NC(C)Cc1ccncc1 270004a_100000209981_100000238508 [1,1,0,0,0,0|1,0,0]=3 5178 B14R1.743 CCC(C)NC(C)Cc1cnccn1 2230a_100011277835_100000758301 [1,1,0,0,0,0|2,0,0]=4 5179 B14R1.743 CCC(C)NC(C)Cc1cnccn1 270004a_100000209981_100015184882 [1,1,0,0,0,0|2,0,0]=4 5180 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [1,1,0,0,0,0|1,0,0]=3 5181 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [1,1,0,0,0,0|1,0,0]=3 5182 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [1,1,0,0,0,0|1,0,0]=3 5183 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [1,1,0,0,0,0|1,0,0]=3 5184 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [1,1,0,0,0,0|1,0,0]=3 5185 B14R1.743 CCC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218378 [1,1,0,0,0,0|2,0,0]=4 5186 B14R1.743 CCC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218378 [1,1,0,0,0,0|2,0,0]=4 5187 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 2230a_100000186898_100009816398 [1,1,0,0,0,0|2,0,0]=4 5188 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 269982a_100000186898_100009816398 [1,1,0,0,0,0|2,0,0]=4 5189 B14R1.743 CN(Cc1ccccc1)CC(O)CO 2230a_100000186898_100011219619 [1,1,0,0,0,0|2,0,0]=4 5190 B14R1.743 CN(Cc1ccccc1)CC(O)CO 2230a_100011216503_100015291786 [1,1,0,0,0,0|2,0,0]=4 5191 B14R1.743 CN(Cc1ccccc1)CC(O)CO 269982a_100011216503_100000211182 [1,1,0,0,0,0|2,0,0]=4 5192 B14R1.743 CN(Cc1ccccc1)CC(O)CO 270004a_100011216503_100015611070 [1,1,0,0,0,0|2,0,0]=4 5193 B14R1.743 CN(Cc1ccccc1)C[C@@H](O)CF 2230a_100000186898_100015614560 [1,1,0,0,0,0|1,1,0]=4 5194 B14R1.743 CN(Cc1ccccc1)C[C@@H](O)CO 2230a_100000186898_100009815848 [1,1,0,0,0,0|2,0,0]=4 5195 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_100009879195_200011218536 [1,1,0,0,0,0|2,0,0]=4 5196 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_200011218536_100009879195 [1,1,0,0,0,0|2,0,0]=4 5197 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 2230a_100000186898_100000059175 [1,1,0,0,0,0|2,0,0]=4 5198 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 269982a_100000186898_100000059175 [1,1,0,0,0,0|2,0,0]=4 5199 B14R1.946 C=CCNC(C)Cc1ccccc1Br 270004a_100020586998_100011350739 [1,1,0,0,0,0|0,0,2]=4 5200 B14R1.946 C=CCNC(C)Cc1ccccc1C 270004a_100020586998_200000764500 [1,1,0,0,0,0|0,0,2]=4 5201 B14R1.946 C=CCNC(C)Cc1ccccc1Cl 270004a_100020586998_100000758791 [1,1,0,0,0,0|0,0,2]=4 5202 B14R1.946 C=CCNC(C)Cc1ccccc1F 270004a_100020586998_100000709178 [1,1,0,0,0,0|0,0,2]=4 5203 B14R1.946 CC(Cc1ccccc1Br)NCCO 270004a_100000210304_100011350739 [1,1,0,0,0,0|1,0,0]=3 5204 B14R1.946 CC(Cc1ccccc1Cl)NCCO 270004a_100000210304_100000758791 [1,1,0,0,0,0|1,0,0]=3 5205 B14R1.946 CC(Cc1ccccc1F)NCCO 270004a_100000210304_100000709178 [1,1,0,0,0,0|1,0,0]=3 5206 B14R1.946 CCCCC(C)Nc1ccccc1Br 34a_100000210017_200011215066 [1,1,0,0,0,0|2,0,0]=4 5207 B14R1.946 CCCCC(C)Nc1ccccc1C 34a_100015192222_200011215066 [1,1,0,0,0,0|2,0,0]=4 5208 B14R1.946 CCCCC(C)Nc1ccccc1Cl 34a_100000185783_200011215066 [1,1,0,0,0,0|2,0,0]=4 5209 B14R1.946 CCCCC(C)Nc1ccccc1F 34a_100000210422_200011215066 [1,1,0,0,0,0|2,0,0]=4 5210 B14R1.946 CCCCC(C)Nc1ccccc1I 34a_100000210053_200011215066 [1,1,0,0,0,0|2,0,0]=4 5211 B14R1.946 CCCCC(C)Nc1ccccc1O 34a_100000185747_200011215066 [1,1,0,0,0,0|2,0,0]=4 5212 B14R1.946 CCCCC(C)Oc1ccccc1Br 34a_100000181306_200011215066 [1,1,0,0,0,0|2,0,0]=4 5213 B14R1.946 CCCCC(C)Oc1ccccc1Br 7a_100000181306_200011215066 [1,1,0,0,0,0|2,0,0]=4 5214 B14R1.946 CCCCC(C)Oc1ccccc1C 34a_100000210338_200011215066 [1,1,0,0,0,0|2,0,0]=4 5215 B14R1.946 CCCCC(C)Oc1ccccc1C 7a_100000210338_200011215066 [1,1,0,0,0,0|2,0,0]=4 5216 B14R1.946 CCCCC(C)Oc1ccccc1Cl 34a_100000210172_200011215066 [1,1,0,0,0,0|2,0,0]=4 5217 B14R1.946 CCCCC(C)Oc1ccccc1Cl 7a_100000210172_200011215066 [1,1,0,0,0,0|2,0,0]=4 5218 B14R1.946 CCCCC(C)Oc1ccccc1F 34a_100000210171_200011215066 [1,1,0,0,0,0|2,0,0]=4 5219 B14R1.946 CCCCC(C)Oc1ccccc1F 7a_100000210171_200011215066 [1,1,0,0,0,0|2,0,0]=4 5220 B14R1.946 CCCCC(C)Oc1ccccc1I 34a_100000739446_200011215066 [1,1,0,0,0,0|2,0,0]=4 5221 B14R1.946 CCCCC(C)Oc1ccccc1I 7a_100000739446_200011215066 [1,1,0,0,0,0|2,0,0]=4 5222 B14R1.946 CCCCC(C)Oc1ccccc1N 34a_100000185747_200011215066 [1,1,0,0,0,0|2,0,0]=4 5223 B14R1.946 CCCCC(C)Oc1ccccc1N 7a_100000185747_200011215066 [1,1,0,0,0,0|2,0,0]=4 5224 B14R1.946 CCCCC(C)Sc1ccccc1Br 62a_100000695589_200011215066 [1,1,0,0,0,0|2,0,0]=4 5225 B14R1.946 CCCCC(C)Sc1ccccc1Br 62a_200011215066_100000695589 [1,1,0,0,0,0|2,0,0]=4 5226 B14R1.946 CCCCC(C)Sc1ccccc1C 62a_100000210755_200011215066 [1,1,0,0,0,0|2,0,0]=4 5227 B14R1.946 CCCCC(C)Sc1ccccc1C 62a_200011215066_100000210755 [1,1,0,0,0,0|2,0,0]=4 5228 B14R1.946 CCCCC(C)Sc1ccccc1Cl 62a_100000764095_200011215066 [1,1,0,0,0,0|2,0,0]=4 5229 B14R1.946 CCCCC(C)Sc1ccccc1Cl 62a_200011215066_100000764095 [1,1,0,0,0,0|2,0,0]=4 5230 B14R1.946 CCCCC(C)Sc1ccccc1F 62a_100011215700_200011215066 [1,1,0,0,0,0|2,0,0]=4 5231 B14R1.946 CCCCC(C)Sc1ccccc1F 62a_200011215066_100011215700 [1,1,0,0,0,0|2,0,0]=4 5232 B14R1.946 CCCCC(C)Sc1ccccc1N 62a_100000210017_200011215066 [1,1,0,0,0,0|2,0,0]=4 5233 B14R1.946 CCCCC(C)Sc1ccccc1N 62a_200011215066_100000210017 [1,1,0,0,0,0|2,0,0]=4 5234 B14R1.946 CCCCC(C)Sc1ccccc1O 62a_100000739446_200011215066 [1,1,0,0,0,0|2,0,0]=4 5235 B14R1.946 CCCCC(C)Sc1ccccc1O 62a_200011215066_100000739446 [1,1,0,0,0,0|2,0,0]=4 5236 B14R1.946 CCCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210211 [1,1,0,0,0,0|2,0,0]=4 5237 B14R1.946 CCCCN(C)Cc1ccccc1Br 2230a_100000207549_100000184730 [1,1,0,0,0,0|2,0,0]=4 5238 B14R1.946 CCCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210211 [1,1,0,0,0,0|2,0,0]=4 5239 B14R1.946 CCCCN(C)Cc1ccccc1Br 269982a_100000207549_100000184730 [1,1,0,0,0,0|2,0,0]=4 5240 B14R1.946 CCCCN(C)Cc1ccccc1Br 26a_100000207549_100000181306 [1,1,0,0,0,0|2,0,0]=4 5241 B14R1.946 CCCCN(C)Cc1ccccc1Br 270004a_100000207549_100000211189 [1,1,0,0,0,0|2,0,0]=4 5242 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100000184421_100000210211 [1,1,0,0,0,0|2,0,0]=4 5243 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100000207549_100000211839 [1,1,0,0,0,0|2,0,0]=4 5244 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100015184623_200000210301 [1,1,0,0,0,0|2,0,0]=4 5245 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100000184421_100000210211 [1,1,0,0,0,0|2,0,0]=4 5246 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100000207549_100000211839 [1,1,0,0,0,0|2,0,0]=4 5247 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100015184623_200000210301 [1,1,0,0,0,0|2,0,0]=4 5248 B14R1.946 CCCCN(C)Cc1ccccc1C 270004a_100000207549_100000211143 [1,1,0,0,0,0|2,0,0]=4 5249 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210211 [1,1,0,0,0,0|2,0,0]=4 5250 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000196027_200000210301 [1,1,0,0,0,0|2,0,0]=4 5251 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000207549_100000187162 [1,1,0,0,0,0|2,0,0]=4 5252 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210211 [1,1,0,0,0,0|2,0,0]=4 5253 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000196027_200000210301 [1,1,0,0,0,0|2,0,0]=4 5254 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000207549_100000187162 [1,1,0,0,0,0|2,0,0]=4 5255 B14R1.946 CCCCN(C)Cc1ccccc1Cl 26a_100000207549_100000210172 [1,1,0,0,0,0|2,0,0]=4 5256 B14R1.946 CCCCN(C)Cc1ccccc1Cl 270004a_100000207549_100000210073 [1,1,0,0,0,0|2,0,0]=4 5257 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000207549_100000211605 [1,1,0,0,0,0|2,0,0]=4 5258 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000742528_100000210211 [1,1,0,0,0,0|2,0,0]=4 5259 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000750065_200000210301 [1,1,0,0,0,0|2,0,0]=4 5260 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000207549_100000211605 [1,1,0,0,0,0|2,0,0]=4 5261 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000742528_100000210211 [1,1,0,0,0,0|2,0,0]=4 5262 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000750065_200000210301 [1,1,0,0,0,0|2,0,0]=4 5263 B14R1.946 CCCCN(C)Cc1ccccc1F 270004a_100000207549_100000210811 [1,1,0,0,0,0|2,0,0]=4 5264 B14R1.946 CCCCN(C)Cc1ccccc1F 34a_100000742528_100000210210 [1,1,0,0,0,0|2,0,0]=4 5265 B14R1.946 CCCCN(C)Cc1ccccc1F 34a_100000750065_200000210301 [1,1,0,0,0,0|2,0,0]=4 5266 B14R1.946 CCCCN(C)Cc1ccccc1I 2230a_100000207549_100011215278 [1,1,0,0,0,0|2,0,0]=4 5267 B14R1.946 CCCCN(C)Cc1ccccc1I 269982a_100000207549_100011215278 [1,1,0,0,0,0|2,0,0]=4 5268 B14R1.946 CCCCN(C)Cc1ccccc1I 270004a_100000207549_100000010305 [1,1,0,0,0,0|2,0,0]=4 5269 B14R1.946 CCCCN(C)Cc1ccccc1O 2230a_100015189988_100000210211 [1,1,0,0,0,0|2,0,0]=4 5270 B14R1.946 CCCCN(C)Cc1ccccc1O 269982a_100015189988_100000210211 [1,1,0,0,0,0|2,0,0]=4 5271 B14R1.946 CCCCN([13CH3])Cc1ccccc1C 2230a_100015184623_200025704644 [1,1,0,0,0,0|2,0,0]=4 5272 B14R1.946 CCCCN([13CH3])Cc1ccccc1C 269982a_100015184623_200025704644 [1,1,0,0,0,0|2,0,0]=4 5273 B14R1.946 CCCCN([13CH3])Cc1ccccc1Cl 2230a_100000196027_200025704644 [1,1,0,0,0,0|2,0,0]=4 5274 B14R1.946 CCCCN([13CH3])Cc1ccccc1Cl 269982a_100000196027_200025704644 [1,1,0,0,0,0|2,0,0]=4 5275 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 2230a_100000750065_200025704644 [1,1,0,0,0,0|2,0,0]=4 5276 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 269982a_100000750065_200025704644 [1,1,0,0,0,0|2,0,0]=4 5277 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 34a_100000750065_200025704644 [1,1,0,0,0,0|2,0,0]=4 5278 B14R1.946 CCCNC(=O)Cc1ccccc1Br 11a_100020643023_100000751119 [1,1,0,0,0,0|1,0,1]=4 5279 B14R1.946 CCCNC(=O)Cc1ccccc1Br 240690a_100020643023_100000751119 [1,1,0,0,0,0|1,0,1]=4 5280 B14R1.946 CCCNC(=O)Cc1ccccc1Br 527a_100020643023_100000751119 [1,1,0,0,0,0|1,0,1]=4 5281 B14R1.946 CCCNC(=O)Cc1ccccc1C 11a_100020643023_100000212180 [1,1,0,0,0,0|1,0,1]=4 5282 B14R1.946 CCCNC(=O)Cc1ccccc1C 1626a_100020643023_100000212180 [1,1,0,0,0,0|1,0,1]=4 5283 B14R1.946 CCCNC(=O)Cc1ccccc1C 240690a_100020643023_100000212180 [1,1,0,0,0,0|1,0,1]=4 5284 B14R1.946 CCCNC(=O)Cc1ccccc1C 527a_100020643023_100000212180 [1,1,0,0,0,0|1,0,1]=4 5285 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 11a_100020643023_100000183793 [1,1,0,0,0,0|1,0,1]=4 5286 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 1626a_100020643023_100000183793 [1,1,0,0,0,0|1,0,1]=4 5287 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 240690a_100020643023_100000183793 [1,1,0,0,0,0|1,0,1]=4 5288 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 527a_100020643023_100000183793 [1,1,0,0,0,0|1,0,1]=4 5289 B14R1.946 CCCNC(=O)Cc1ccccc1F 11a_100020643023_100000212012 [1,1,0,0,0,0|1,0,1]=4 5290 B14R1.946 CCCNC(=O)Cc1ccccc1F 1626a_100020643023_100000212012 [1,1,0,0,0,0|1,0,1]=4 5291 B14R1.946 CCCNC(=O)Cc1ccccc1F 240690a_100020643023_100000212012 [1,1,0,0,0,0|1,0,1]=4 5292 B14R1.946 CCCNC(=O)Cc1ccccc1F 527a_100020643023_100000212012 [1,1,0,0,0,0|1,0,1]=4 5293 B14R1.946 CCCNC(=O)Cc1ccccc1I 11a_100020643023_100000036491 [1,1,0,0,0,0|1,0,1]=4 5294 B14R1.946 CCCNC(=O)Cc1ccccc1I 1626a_100020643023_100000036491 [1,1,0,0,0,0|1,0,1]=4 5295 B14R1.946 CCCNC(=O)Cc1ccccc1I 240690a_100020643023_100000036491 [1,1,0,0,0,0|1,0,1]=4 5296 B14R1.946 CCCNC(=O)Cc1ccccc1I 527a_100020643023_100000036491 [1,1,0,0,0,0|1,0,1]=4 5297 B14R1.946 CCCNC(=O)Cc1ccccc1O 240690a_100020643023_100000743006 [1,1,0,0,0,0|1,0,1]=4 5298 B14R1.946 CCCNC(=O)Cc1ccccc1O 527a_100020643023_100000743006 [1,1,0,0,0,0|1,0,1]=4 5299 B14R1.946 CCCNC(C)Cc1ccccc1Br 270004a_100020643023_100011350739 [1,1,0,0,0,0|0,0,0]=2 5300 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [1,1,0,0,0,0|0,0,0]=2 5301 B14R1.946 CCCNC(C)Cc1ccccc1Cl 270004a_100020643023_100000758791 [1,1,0,0,0,0|0,0,0]=2 5302 B14R1.946 CCCNC(C)Cc1ccccc1F 270004a_100020643023_100000709178 [1,1,0,0,0,0|0,0,0]=2 5303 B14R1.946 CCCNC(C)Cc1ncccc1C 270004a_100020643023_100011823981 [1,1,0,0,0,0|1,0,0]=3 5304 B14R1.946 CN(CCCF)Cc1ccccc1Br 2230a_100000184654_100011934791 [1,1,0,0,0,0|1,1,0]=4 5305 B14R1.946 CN(CCCF)Cc1ccccc1Br 269982a_100000184654_100011934791 [1,1,0,0,0,0|1,1,0]=4 5306 B14R1.946 CN(CCCF)Cc1ccccc1Cl 2230a_100000184507_100011934791 [1,1,0,0,0,0|1,1,0]=4 5307 B14R1.946 CN(CCCF)Cc1ccccc1Cl 269982a_100000184507_100011934791 [1,1,0,0,0,0|1,1,0]=4 5308 B14R1.946 CN(CCCF)Cc1ccccc1F 2230a_100000742528_100011934791 [1,1,0,0,0,0|1,1,0]=4 5309 B14R1.946 CN(CCCF)Cc1ccccc1F 269982a_100000742528_100011934791 [1,1,0,0,0,0|1,1,0]=4 5310 B14R1.946 CN(CCCF)Cc1ccccc1F 34a_100000742528_100011934791 [1,1,0,0,0,0|1,1,0]=4 5311 B14R1.946 CN(CCCF)Cc1ccccc1O 2230a_100015189988_100011934791 [1,1,0,0,0,0|1,1,0]=4 5312 B14R1.946 CN(CCCF)Cc1ccccc1O 269982a_100015189988_100011934791 [1,1,0,0,0,0|1,1,0]=4 5313 B14R1.946 CN(CCCO)Cc1ccccc1Br 2230a_100000184654_100000230001 [1,1,0,0,0,0|2,0,0]=4 5314 B14R1.946 CN(CCCO)Cc1ccccc1Br 2230a_100000213112_100000184730 [1,1,0,0,0,0|2,0,0]=4 5315 B14R1.946 CN(CCCO)Cc1ccccc1Br 269982a_100000184654_100011215043 [1,1,0,0,0,0|2,0,0]=4 5316 B14R1.946 CN(CCCO)Cc1ccccc1Br 269982a_100000213112_100000184730 [1,1,0,0,0,0|2,0,0]=4 5317 B14R1.946 CN(CCCO)Cc1ccccc1Br 26a_100000213112_100000181306 [1,1,0,0,0,0|2,0,0]=4 5318 B14R1.946 CN(CCCO)Cc1ccccc1Br 270004a_100000213112_100000211189 [1,1,0,0,0,0|2,0,0]=4 5319 B14R1.946 CN(CCCO)Cc1ccccc1Cl 2230a_100000184507_100000230001 [1,1,0,0,0,0|2,0,0]=4 5320 B14R1.946 CN(CCCO)Cc1ccccc1Cl 2230a_100000213112_100000187162 [1,1,0,0,0,0|2,0,0]=4 5321 B14R1.946 CN(CCCO)Cc1ccccc1Cl 269982a_100000184507_100011215043 [1,1,0,0,0,0|2,0,0]=4 5322 B14R1.946 CN(CCCO)Cc1ccccc1Cl 269982a_100000213112_100000187162 [1,1,0,0,0,0|2,0,0]=4 5323 B14R1.946 CN(CCCO)Cc1ccccc1Cl 26a_100000213112_100000210172 [1,1,0,0,0,0|2,0,0]=4 5324 B14R1.946 CN(CCCO)Cc1ccccc1Cl 270004a_100000213112_100000210073 [1,1,0,0,0,0|2,0,0]=4 5325 B14R1.946 CN(CCCO)Cc1ccccc1F 2230a_100000213112_100000211605 [1,1,0,0,0,0|2,0,0]=4 5326 B14R1.946 CN(CCCO)Cc1ccccc1F 2230a_100000742528_100000230001 [1,1,0,0,0,0|2,0,0]=4 5327 B14R1.946 CN(CCCO)Cc1ccccc1F 269982a_100000213112_100000211605 [1,1,0,0,0,0|2,0,0]=4 5328 B14R1.946 CN(CCCO)Cc1ccccc1F 269982a_100000742528_100011215043 [1,1,0,0,0,0|2,0,0]=4 5329 B14R1.946 CN(CCCO)Cc1ccccc1F 270004a_100000213112_100000210811 [1,1,0,0,0,0|2,0,0]=4 5330 B14R1.946 CN(CCCO)Cc1ccccc1F 34a_100000742528_100000230001 [1,1,0,0,0,0|2,0,0]=4 5331 B14R1.946 CN(CCCO)Cc1ccccc1I 2230a_100000213112_100011215278 [1,1,0,0,0,0|2,0,0]=4 5332 B14R1.946 CN(CCCO)Cc1ccccc1I 269982a_100000213112_100011215278 [1,1,0,0,0,0|2,0,0]=4 5333 B14R1.946 CN(CCCO)Cc1ccccc1I 270004a_100000213112_100000010305 [1,1,0,0,0,0|2,0,0]=4 5334 B14R1.946 CN(CCCO)Cc1ccccc1O 2230a_100015189988_100000230001 [1,1,0,0,0,0|2,0,0]=4 5335 B14R1.946 CN(CCCO)Cc1ccccc1O 269982a_100015189988_100011215043 [1,1,0,0,0,0|2,0,0]=4 5336 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [1,1,0,0,0,0|1,0,0]=3 5337 B14R1.946 Cc1ccccc1CN(C)CCCF 2230a_100000184421_100011934791 [1,1,0,0,0,0|1,1,0]=4 5338 B14R1.946 Cc1ccccc1CN(C)CCCF 269982a_100000184421_100011934791 [1,1,0,0,0,0|1,1,0]=4 5339 B14R1.946 Cc1ccccc1CN(C)CCCO 2230a_100000184421_100000230001 [1,1,0,0,0,0|2,0,0]=4 5340 B14R1.946 Cc1ccccc1CN(C)CCCO 2230a_100000213112_100000211839 [1,1,0,0,0,0|2,0,0]=4 5341 B14R1.946 Cc1ccccc1CN(C)CCCO 269982a_100000184421_100011215043 [1,1,0,0,0,0|2,0,0]=4 5342 B14R1.946 Cc1ccccc1CN(C)CCCO 269982a_100000213112_100000211839 [1,1,0,0,0,0|2,0,0]=4 5343 B14R1.946 Cc1ccccc1CN(C)CCCO 270004a_100000213112_100000211143 [1,1,0,0,0,0|2,0,0]=4 5344 B14R1.946 Cc1cccnc1CC(C)NCCO 270004a_100000210304_100011823981 [1,1,0,0,0,0|2,0,0]=4 5345 B14R1.4528 CC(C)(Cc1ccccc1)OCCF 7a_100011215222_100011217306 [1,1,0,0,0,0|1,1,0]=4 5346 B14R1.4528 CC(C)(Cc1ccccc1)OCCO 7a_100011215222_100000211926 [1,1,0,0,0,0|2,0,0]=4 5347 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 270084a_100020643023_100000211737 [1,1,0,0,0,0|2,0,0]=4 5348 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 274078a_100020643023_100000211737 [1,1,0,0,0,0|2,0,0]=4 5349 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 40a_100020643023_100000235865 [1,1,0,0,0,0|2,0,0]=4 5350 B14R1.4528 CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210303 [1,1,0,0,0,0|1,0,0]=3 5351 B14R1.19 C#CCCNC(C)c1ccc(cc1)Br 34a_100000755551_100000755118 [0,1,0,0,1,0|1,0,1]=4 5352 B14R1.19 C#CCCNC(C)c1ccc(cc1)C 34a_100000755551_100011261388 [0,1,0,0,1,0|1,0,1]=4 5353 B14R1.19 C#CCCNC(C)c1ccc(cc1)F 34a_100000755551_100000743420 [0,1,0,0,1,0|1,0,1]=4 5354 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000688953 [0,1,0,0,1,0|1,0,1]=4 5355 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000688953 [0,1,0,0,1,0|1,0,1]=4 5356 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000688953 [0,1,0,0,1,0|1,0,1]=4 5357 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000688953 [0,1,0,0,1,0|1,0,1]=4 5358 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000688953 [0,1,0,0,1,0|1,0,1]=4 5359 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000688953 [0,1,0,0,1,0|1,0,1]=4 5360 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000688953 [0,1,0,0,1,0|1,0,1]=4 5361 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000688953 [0,1,0,0,1,0|1,0,1]=4 5362 B14R1.19 C#CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000688953 [0,1,0,0,1,0|1,0,1]=4 5363 B14R1.19 C=CCCNC(C)c1ccc(cc1)Br 2230a_100015191253_100000755118 [0,1,0,0,1,0|1,0,1]=4 5364 B14R1.19 C=CCCNC(C)c1ccc(cc1)Br 269862a_100015191253_100000185794 [0,1,0,0,1,0|1,0,1]=4 5365 B14R1.19 C=CCCNC(C)c1ccc(cc1)C 2230a_100015191253_100011261388 [0,1,0,0,1,0|1,0,1]=4 5366 B14R1.19 C=CCCNC(C)c1ccc(cc1)C 269862a_100015191253_100000185793 [0,1,0,0,1,0|1,0,1]=4 5367 B14R1.19 C=CCCNC(C)c1ccc(cc1)Cl 2230a_100015191253_100000684792 [0,1,0,0,1,0|1,0,1]=4 5368 B14R1.19 C=CCCNC(C)c1ccc(cc1)Cl 269862a_100015191253_100000185797 [0,1,0,0,1,0|1,0,1]=4 5369 B14R1.19 C=CCCNC(C)c1ccc(cc1)F 2230a_100015191253_100000743420 [0,1,0,0,1,0|1,0,1]=4 5370 B14R1.19 C=CCCNC(C)c1ccc(cc1)F 269862a_100015191253_100000185800 [0,1,0,0,1,0|1,0,1]=4 5371 B14R1.19 C=CCCNC(C)c1ccc(cc1)I 269862a_100015191253_100000185465 [0,1,0,0,1,0|1,0,1]=4 5372 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000754431 [0,1,0,0,1,0|1,0,1]=4 5373 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000754431 [0,1,0,0,1,0|1,0,1]=4 5374 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000754431 [0,1,0,0,1,0|1,0,1]=4 5375 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000754431 [0,1,0,0,1,0|1,0,1]=4 5376 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000754431 [0,1,0,0,1,0|1,0,1]=4 5377 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000754431 [0,1,0,0,1,0|1,0,1]=4 5378 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000754431 [0,1,0,0,1,0|1,0,1]=4 5379 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000754431 [0,1,0,0,1,0|1,0,1]=4 5380 B14R1.19 C=CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000754431 [0,1,0,0,1,0|1,0,1]=4 5381 B14R1.19 CC(NCCCF)c1cc[n+](cc1)[O-] 269862a_100015189416_100000076990 [0,1,0,0,1,0|1,1,0]=4 5382 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 2230a_100015189416_100000755118 [0,1,0,0,1,0|0,1,0]=3 5383 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 269862a_100015189416_100000185794 [0,1,0,0,1,0|0,1,0]=3 5384 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 34a_100015189416_100000755118 [0,1,0,0,1,0|0,1,0]=3 5385 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 2230a_100015189416_100000684792 [0,1,0,0,1,0|0,1,0]=3 5386 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 269862a_100015189416_100000185797 [0,1,0,0,1,0|0,1,0]=3 5387 B14R1.19 CC(NCCCF)c1ccc(cc1)F 2230a_100015189416_100000743420 [0,1,0,0,1,0|0,1,0]=3 5388 B14R1.19 CC(NCCCF)c1ccc(cc1)F 269862a_100015189416_100000185800 [0,1,0,0,1,0|0,1,0]=3 5389 B14R1.19 CC(NCCCF)c1ccc(cc1)F 34a_100015189416_100000743420 [0,1,0,0,1,0|0,1,0]=3 5390 B14R1.19 CC(NCCCF)c1ccc(cc1)I 269862a_100015189416_100000185465 [0,1,0,0,1,0|0,1,0]=3 5391 B14R1.19 CC(NCCCF)c1ccc(cn1)Br 2230a_100000723930_100011934791 [0,1,0,0,1,0|1,1,0]=4 5392 B14R1.19 CC(NCCCF)c1ccc(cn1)Br 269862a_100015189416_100000686046 [0,1,0,0,1,0|1,1,0]=4 5393 B14R1.19 CC(NCCCF)c1ccc(cn1)Br 270004a_100015189416_100000686046 [0,1,0,0,1,0|1,1,0]=4 5394 B14R1.19 CC(NCCCF)c1ccc(cn1)Cl 269862a_100015189416_100000692432 [0,1,0,0,1,0|1,1,0]=4 5395 B14R1.19 CC(NCCCF)c1ccc(cn1)Cl 270004a_100015189416_100000692432 [0,1,0,0,1,0|1,1,0]=4 5396 B14R1.19 CC(NCCCF)c1ccc(cn1)F 269862a_100015189416_100102946652 [0,1,0,0,1,0|1,1,0]=4 5397 B14R1.19 CC(NCCCF)c1ccc(cn1)F 270004a_100015189416_100102946652 [0,1,0,0,1,0|1,1,0]=4 5398 B14R1.19 CC(NCCCF)c1ccc(nc1)Br 269862a_100015189416_100000684857 [0,1,0,0,1,0|1,1,0]=4 5399 B14R1.19 CC(NCCCF)c1ccc(nc1)Cl 269862a_100015189416_100000690552 [0,1,0,0,1,0|1,1,0]=4 5400 B14R1.19 CC(NCCCF)c1ccc(nc1)F 269862a_100015189416_100000085738 [0,1,0,0,1,0|1,1,0]=4 5401 B14R1.19 CC(NCCCO)c1cc[n+](cc1)[O-] 269862a_100000182051_100000076990 [0,1,0,0,1,0|2,0,0]=4 5402 B14R1.19 CC(NCCCO)c1ccc(cc1)Br 269862a_100000182051_100000185794 [0,1,0,0,1,0|1,0,0]=3 5403 B14R1.19 CC(NCCCO)c1ccc(cc1)Cl 269862a_100000182051_100000185797 [0,1,0,0,1,0|1,0,0]=3 5404 B14R1.19 CC(NCCCO)c1ccc(cc1)F 269862a_100000182051_100000185800 [0,1,0,0,1,0|1,0,0]=3 5405 B14R1.19 CC(NCCCO)c1ccc(cc1)I 269862a_100000182051_100000185465 [0,1,0,0,1,0|1,0,0]=3 5406 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 2230a_100000723930_100000230001 [0,1,0,0,1,0|2,0,0]=4 5407 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 269862a_100000182051_100000686046 [0,1,0,0,1,0|2,0,0]=4 5408 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 270004a_100000182051_100000686046 [0,1,0,0,1,0|2,0,0]=4 5409 B14R1.19 CC(NCCCO)c1ccc(cn1)Cl 269862a_100000182051_100000692432 [0,1,0,0,1,0|2,0,0]=4 5410 B14R1.19 CC(NCCCO)c1ccc(cn1)Cl 270004a_100000182051_100000692432 [0,1,0,0,1,0|2,0,0]=4 5411 B14R1.19 CC(NCCCO)c1ccc(cn1)F 269862a_100000182051_100102946652 [0,1,0,0,1,0|2,0,0]=4 5412 B14R1.19 CC(NCCCO)c1ccc(cn1)F 270004a_100000182051_100102946652 [0,1,0,0,1,0|2,0,0]=4 5413 B14R1.19 CC(NCCCO)c1ccc(nc1)Br 269862a_100000182051_100000684857 [0,1,0,0,1,0|2,0,0]=4 5414 B14R1.19 CC(NCCCO)c1ccc(nc1)Cl 269862a_100000182051_100000690552 [0,1,0,0,1,0|2,0,0]=4 5415 B14R1.19 CC(NCCCO)c1ccc(nc1)F 269862a_100000182051_100000085738 [0,1,0,0,1,0|2,0,0]=4 5416 B14R1.19 CC(OCCCBr)c1ccc(cc1)Br 34a_100011217188_100000755118 [0,1,0,0,1,0|1,1,0]=4 5417 B14R1.19 CC(OCCCBr)c1ccc(cc1)F 34a_100011217188_100000743420 [0,1,0,0,1,0|1,1,0]=4 5418 B14R1.19 CC(OCCCCl)c1ccc(cc1)Br 34a_100000230001_100000755118 [0,1,0,0,1,0|1,0,0]=3 5419 B14R1.19 CC(OCCCCl)c1ccc(cc1)F 34a_100000230001_100000743420 [0,1,0,0,1,0|1,0,0]=3 5420 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000745893_100011934791 [0,1,0,0,1,0|1,1,0]=4 5421 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000759539_100000755118 [0,1,0,0,1,0|1,1,0]=4 5422 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 7a_100000745893_100011934791 [0,1,0,0,1,0|1,1,0]=4 5423 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000181323_100011934791 [0,1,0,0,1,0|1,1,0]=4 5424 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000759539_100000743420 [0,1,0,0,1,0|1,1,0]=4 5425 B14R1.19 CC(OCCCF)c1ccc(cc1)F 7a_100000181323_100011934791 [0,1,0,0,1,0|1,1,0]=4 5426 B14R1.19 CC(OCCCF)c1ccc(cc1)N 34a_100011216399_100011934791 [0,1,0,0,1,0|1,1,0]=4 5427 B14R1.19 CC(OCCCN)c1ccc(cc1)Br 34a_100000182051_100000755118 [0,1,0,0,1,0|2,0,0]=4 5428 B14R1.19 CC(OCCCN)c1ccc(cc1)F 34a_100000182051_100000743420 [0,1,0,0,1,0|2,0,0]=4 5429 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 34a_100000745893_100000230001 [0,1,0,0,1,0|2,0,0]=4 5430 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 7a_100000745893_100011215043 [0,1,0,0,1,0|2,0,0]=4 5431 B14R1.19 CC(OCCCO)c1ccc(cc1)F 34a_100000181323_100000230001 [0,1,0,0,1,0|2,0,0]=4 5432 B14R1.19 CC(OCCCO)c1ccc(cc1)F 7a_100000181323_100011215043 [0,1,0,0,1,0|2,0,0]=4 5433 B14R1.19 CC(OCCCO)c1ccc(cc1)N 34a_100011216399_100000230001 [0,1,0,0,1,0|2,0,0]=4 5434 B14R1.19 CC(SCCCF)c1ccc(cc1)Br 62a_100000755118_100011934791 [0,1,0,0,1,0|1,1,0]=4 5435 B14R1.19 CC(SCCCF)c1ccc(cc1)Br 62a_100011934791_100000755118 [0,1,0,0,1,0|1,1,0]=4 5436 B14R1.19 CC(SCCCF)c1ccc(cc1)Cl 62a_100000684792_100011934791 [0,1,0,0,1,0|1,1,0]=4 5437 B14R1.19 CC(SCCCF)c1ccc(cc1)Cl 62a_100011934791_100000684792 [0,1,0,0,1,0|1,1,0]=4 5438 B14R1.19 CC(SCCCF)c1ccc(cc1)F 62a_100000743420_100011934791 [0,1,0,0,1,0|1,1,0]=4 5439 B14R1.19 CC(SCCCF)c1ccc(cc1)F 62a_100011934791_100000743420 [0,1,0,0,1,0|1,1,0]=4 5440 B14R1.19 CC(SCCCO)c1ccc(cc1)Br 62a_100000755118_100011215043 [0,1,0,0,1,0|2,0,0]=4 5441 B14R1.19 CC(SCCCO)c1ccc(cc1)Br 62a_100011215043_100000755118 [0,1,0,0,1,0|2,0,0]=4 5442 B14R1.19 CC(SCCCO)c1ccc(cc1)Cl 62a_100000684792_100011215043 [0,1,0,0,1,0|2,0,0]=4 5443 B14R1.19 CC(SCCCO)c1ccc(cc1)Cl 62a_100011215043_100000684792 [0,1,0,0,1,0|2,0,0]=4 5444 B14R1.19 CC(SCCCO)c1ccc(cc1)F 62a_100000743420_100011215043 [0,1,0,0,1,0|2,0,0]=4 5445 B14R1.19 CC(SCCCO)c1ccc(cc1)F 62a_100011215043_100000743420 [0,1,0,0,1,0|2,0,0]=4 5446 B14R1.19 CCCCNC(C)c1cc[n+](cc1)[O-] 269862a_100000102301_100000076990 [0,1,0,0,1,0|2,0,0]=4 5447 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 2230a_100000102301_100000755118 [0,1,0,0,1,0|1,0,0]=3 5448 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 269862a_100000102301_100000185794 [0,1,0,0,1,0|1,0,0]=3 5449 B14R1.19 CCCCNC(C)c1ccc(cc1)C 2230a_100000102301_100011261388 [0,1,0,0,1,0|1,0,0]=3 5450 B14R1.19 CCCCNC(C)c1ccc(cc1)C 269862a_100000102301_100000185793 [0,1,0,0,1,0|1,0,0]=3 5451 B14R1.19 CCCCNC(C)c1ccc(cc1)C 7a_106832991798_100011261388 [0,1,0,0,1,0|1,0,0]=3 5452 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 2230a_100000102301_100000684792 [0,1,0,0,1,0|1,0,0]=3 5453 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 269862a_100000102301_100000185797 [0,1,0,0,1,0|1,0,0]=3 5454 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 7a_106832991798_100000684792 [0,1,0,0,1,0|1,0,0]=3 5455 B14R1.19 CCCCNC(C)c1ccc(cc1)F 2230a_100000102301_100000743420 [0,1,0,0,1,0|1,0,0]=3 5456 B14R1.19 CCCCNC(C)c1ccc(cc1)F 269862a_100000102301_100000185800 [0,1,0,0,1,0|1,0,0]=3 5457 B14R1.19 CCCCNC(C)c1ccc(cc1)F 7a_106832991798_100000743420 [0,1,0,0,1,0|1,0,0]=3 5458 B14R1.19 CCCCNC(C)c1ccc(cc1)I 269862a_100000102301_100000185465 [0,1,0,0,1,0|1,0,0]=3 5459 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210211 [0,1,0,0,1,0|2,0,0]=4 5460 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 269862a_100000102301_100000686046 [0,1,0,0,1,0|2,0,0]=4 5461 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 270004a_100000102301_100000686046 [0,1,0,0,1,0|2,0,0]=4 5462 B14R1.19 CCCCNC(C)c1ccc(cn1)C 269862a_100000102301_100000084104 [0,1,0,0,1,0|2,0,0]=4 5463 B14R1.19 CCCCNC(C)c1ccc(cn1)C 270004a_100000102301_100000084104 [0,1,0,0,1,0|2,0,0]=4 5464 B14R1.19 CCCCNC(C)c1ccc(cn1)Cl 269862a_100000102301_100000692432 [0,1,0,0,1,0|2,0,0]=4 5465 B14R1.19 CCCCNC(C)c1ccc(cn1)Cl 270004a_100000102301_100000692432 [0,1,0,0,1,0|2,0,0]=4 5466 B14R1.19 CCCCNC(C)c1ccc(cn1)F 269862a_100000102301_100102946652 [0,1,0,0,1,0|2,0,0]=4 5467 B14R1.19 CCCCNC(C)c1ccc(cn1)F 270004a_100000102301_100102946652 [0,1,0,0,1,0|2,0,0]=4 5468 B14R1.19 CCCCNC(C)c1ccc(nc1)Br 269862a_100000102301_100000684857 [0,1,0,0,1,0|2,0,0]=4 5469 B14R1.19 CCCCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210211 [0,1,0,0,1,0|2,0,0]=4 5470 B14R1.19 CCCCNC(C)c1ccc(nc1)C 269862a_100000102301_100011280547 [0,1,0,0,1,0|2,0,0]=4 5471 B14R1.19 CCCCNC(C)c1ccc(nc1)C 34a_100011815741_100000210210 [0,1,0,0,1,0|2,0,0]=4 5472 B14R1.19 CCCCNC(C)c1ccc(nc1)Cl 269862a_100000102301_100000690552 [0,1,0,0,1,0|2,0,0]=4 5473 B14R1.19 CCCCNC(C)c1ccc(nc1)F 269862a_100000102301_100000085738 [0,1,0,0,1,0|2,0,0]=4 5474 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210211 [0,1,0,0,1,0|1,0,0]=3 5475 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210210 [0,1,0,0,1,0|1,0,0]=3 5476 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210211 [0,1,0,0,1,0|1,0,0]=3 5477 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [0,1,0,0,1,0|1,0,0]=3 5478 B14R1.19 CCCCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210211 [0,1,0,0,1,0|2,0,0]=4 5479 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210211 [0,1,0,0,1,0|1,0,0]=3 5480 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210211 [0,1,0,0,1,0|1,0,0]=3 5481 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210210 [0,1,0,0,1,0|1,0,0]=3 5482 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210211 [0,1,0,0,1,0|1,0,0]=3 5483 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210210 [0,1,0,0,1,0|1,0,0]=3 5484 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [0,1,0,0,1,0|2,0,0]=4 5485 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [0,1,0,0,1,0|2,0,0]=4 5486 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [0,1,0,0,1,0|2,0,0]=4 5487 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [0,1,0,0,1,0|2,0,0]=4 5488 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [0,1,0,0,1,0|2,0,0]=4 5489 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [0,1,0,0,1,0|2,0,0]=4 5490 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [0,1,0,0,1,0|2,0,0]=4 5491 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [0,1,0,0,1,0|2,0,0]=4 5492 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [0,1,0,0,1,0|2,0,0]=4 5493 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [0,1,0,0,1,0|2,0,0]=4 5494 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [0,1,0,0,1,0|2,0,0]=4 5495 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [0,1,0,0,1,0|2,0,0]=4 5496 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [0,1,0,0,1,0|2,0,0]=4 5497 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [0,1,0,0,1,0|2,0,0]=4 5498 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [0,1,0,0,1,0|2,0,0]=4 5499 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000210211_100000755118 [0,1,0,0,1,0|2,0,0]=4 5500 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210210 [0,1,0,0,1,0|2,0,0]=4 5501 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100000210211_100011261388 [0,1,0,0,1,0|2,0,0]=4 5502 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210210 [0,1,0,0,1,0|2,0,0]=4 5503 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000210211_100000684792 [0,1,0,0,1,0|2,0,0]=4 5504 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210210 [0,1,0,0,1,0|2,0,0]=4 5505 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000210211_100000743420 [0,1,0,0,1,0|2,0,0]=4 5506 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210210 [0,1,0,0,1,0|2,0,0]=4 5507 B14R1.19 COCCNC(C)c1ccc(cc1)Br 2230a_100000209980_100000755118 [0,1,0,0,1,0|2,0,0]=4 5508 B14R1.19 COCCNC(C)c1ccc(cc1)Br 269862a_100000209980_100000185794 [0,1,0,0,1,0|2,0,0]=4 5509 B14R1.19 COCCNC(C)c1ccc(cc1)C 2230a_100000209980_100011261388 [0,1,0,0,1,0|2,0,0]=4 5510 B14R1.19 COCCNC(C)c1ccc(cc1)C 269862a_100000209980_100000185793 [0,1,0,0,1,0|2,0,0]=4 5511 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 2230a_100000209980_100000684792 [0,1,0,0,1,0|2,0,0]=4 5512 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 269862a_100000209980_100000185797 [0,1,0,0,1,0|2,0,0]=4 5513 B14R1.19 COCCNC(C)c1ccc(cc1)F 2230a_100000209980_100000743420 [0,1,0,0,1,0|2,0,0]=4 5514 B14R1.19 COCCNC(C)c1ccc(cc1)F 269862a_100000209980_100000185800 [0,1,0,0,1,0|2,0,0]=4 5515 B14R1.19 COCCNC(C)c1ccc(cc1)I 269862a_100000209980_100000185465 [0,1,0,0,1,0|2,0,0]=4 5516 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011201679 [0,1,0,0,1,0|2,0,0]=4 5517 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011201679 [0,1,0,0,1,0|2,0,0]=4 5518 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011201679 [0,1,0,0,1,0|2,0,0]=4 5519 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011201679 [0,1,0,0,1,0|2,0,0]=4 5520 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011201679 [0,1,0,0,1,0|2,0,0]=4 5521 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011201679 [0,1,0,0,1,0|2,0,0]=4 5522 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011201679 [0,1,0,0,1,0|2,0,0]=4 5523 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011201679 [0,1,0,0,1,0|2,0,0]=4 5524 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011201679 [0,1,0,0,1,0|2,0,0]=4 5525 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 2230a_100020590264_100000755118 [0,1,0,0,1,0|2,0,0]=4 5526 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 269862a_100020590264_100000185794 [0,1,0,0,1,0|2,0,0]=4 5527 B14R1.19 CSCCNC(C)c1ccc(cc1)C 2230a_100020590264_100011261388 [0,1,0,0,1,0|2,0,0]=4 5528 B14R1.19 CSCCNC(C)c1ccc(cc1)C 269862a_100020590264_100000185793 [0,1,0,0,1,0|2,0,0]=4 5529 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 2230a_100020590264_100000684792 [0,1,0,0,1,0|2,0,0]=4 5530 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 269862a_100020590264_100000185797 [0,1,0,0,1,0|2,0,0]=4 5531 B14R1.19 CSCCNC(C)c1ccc(cc1)F 2230a_100020590264_100000743420 [0,1,0,0,1,0|2,0,0]=4 5532 B14R1.19 CSCCNC(C)c1ccc(cc1)F 269862a_100020590264_100000185800 [0,1,0,0,1,0|2,0,0]=4 5533 B14R1.19 CSCCNC(C)c1ccc(cc1)I 269862a_100020590264_100000185465 [0,1,0,0,1,0|2,0,0]=4 5534 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000751147 [0,1,0,0,1,0|2,0,0]=4 5535 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000212216 [0,1,0,0,1,0|2,0,0]=4 5536 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000751147 [0,1,0,0,1,0|2,0,0]=4 5537 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000751147 [0,1,0,0,1,0|2,0,0]=4 5538 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000751147 [0,1,0,0,1,0|2,0,0]=4 5539 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000751147 [0,1,0,0,1,0|2,0,0]=4 5540 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000212216 [0,1,0,0,1,0|2,0,0]=4 5541 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000751147 [0,1,0,0,1,0|2,0,0]=4 5542 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000212216 [0,1,0,0,1,0|2,0,0]=4 5543 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Br 2230a_100000720352_100011215226 [0,1,0,0,1,0|1,0,1]=4 5544 B14R1.19 C[C@@H](NCCC#N)c1ccc(cc1)Cl 2230a_100015205461_100011215226 [0,1,0,0,1,0|1,0,1]=4 5545 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Br 2230a_100000720352_100011934791 [0,1,0,0,1,0|0,1,0]=3 5546 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 2230a_100015205461_100011934791 [0,1,0,0,1,0|0,1,0]=3 5547 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 34a_100015205461_100011934791 [0,1,0,0,1,0|0,1,0]=3 5548 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Br 2230a_100000720352_100000230001 [0,1,0,0,1,0|1,0,0]=3 5549 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 2230a_100015205461_100000230001 [0,1,0,0,1,0|1,0,0]=3 5550 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 34a_100015205461_100000230001 [0,1,0,0,1,0|1,0,0]=3 5551 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)F 2230a_100025705893_100011215226 [0,1,0,0,1,0|1,0,1]=4 5552 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)I 2230a_100000753911_100011215226 [0,1,0,0,1,0|1,0,1]=4 5553 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)O 2230a_100161106496_100011215226 [0,1,0,0,1,0|1,0,1]=4 5554 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 2230a_100025705893_100011934791 [0,1,0,0,1,0|0,1,0]=3 5555 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 34a_100025705893_100011934791 [0,1,0,0,1,0|0,1,0]=3 5556 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)I 2230a_100000753911_100011934791 [0,1,0,0,1,0|0,1,0]=3 5557 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)O 2230a_100161106496_100011934791 [0,1,0,0,1,0|0,1,0]=3 5558 B14R1.19 C[C@H](NCCCF)c1ccc(nc1)Br 2230a_100015387476_100011934791 [0,1,0,0,1,0|1,1,0]=4 5559 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 2230a_100025705893_100000230001 [0,1,0,0,1,0|1,0,0]=3 5560 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 34a_100025705893_100000230001 [0,1,0,0,1,0|1,0,0]=3 5561 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)I 2230a_100000753911_100000230001 [0,1,0,0,1,0|1,0,0]=3 5562 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)O 2230a_100161106496_100000230001 [0,1,0,0,1,0|1,0,0]=3 5563 B14R1.19 C[C@H](NCCCO)c1ccc(nc1)Br 2230a_100015387476_100000230001 [0,1,0,0,1,0|2,0,0]=4 5564 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 34a_100011852131_100011934791 [0,1,0,0,1,0|1,1,0]=4 5565 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 7a_100011852131_100011934791 [0,1,0,0,1,0|1,1,0]=4 5566 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 34a_100011852131_100000230001 [0,1,0,0,1,0|2,0,0]=4 5567 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 7a_100011852131_100011215043 [0,1,0,0,1,0|2,0,0]=4 5568 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 2230a_100015189416_100011261388 [0,1,0,0,1,0|0,1,0]=3 5569 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 269862a_100015189416_100000185793 [0,1,0,0,1,0|0,1,0]=3 5570 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 34a_100015189416_100011261388 [0,1,0,0,1,0|0,1,0]=3 5571 B14R1.19 Cc1ccc(cc1)C(C)NCCCO 269862a_100000182051_100000185793 [0,1,0,0,1,0|1,0,0]=3 5572 B14R1.19 Cc1ccc(cc1)C(C)OCCCBr 34a_100011217188_100011261388 [0,1,0,0,1,0|1,1,0]=4 5573 B14R1.19 Cc1ccc(cc1)C(C)OCCCCl 34a_100000230001_100011261388 [0,1,0,0,1,0|1,0,0]=3 5574 B14R1.19 Cc1ccc(cc1)C(C)OCCCF 34a_100000759539_100011261388 [0,1,0,0,1,0|1,1,0]=4 5575 B14R1.19 Cc1ccc(cc1)C(C)OCCCN 34a_100000182051_100011261388 [0,1,0,0,1,0|2,0,0]=4 5576 B14R1.19 Cc1ccc(cc1)C(C)SCCCF 62a_100011261388_100011934791 [0,1,0,0,1,0|1,1,0]=4 5577 B14R1.19 Cc1ccc(cc1)C(C)SCCCF 62a_100011934791_100011261388 [0,1,0,0,1,0|1,1,0]=4 5578 B14R1.19 Cc1ccc(cc1)C(C)SCCCO 62a_100011215043_100011261388 [0,1,0,0,1,0|2,0,0]=4 5579 B14R1.19 Cc1ccc(cc1)C(C)SCCCO 62a_100011261388_100011215043 [0,1,0,0,1,0|2,0,0]=4 5580 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCC#N 2230a_100016988085_100011215226 [0,1,0,0,1,0|1,0,1]=4 5581 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 2230a_100016988085_100011934791 [0,1,0,0,1,0|0,1,0]=3 5582 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 34a_100016988085_100011934791 [0,1,0,0,1,0|0,1,0]=3 5583 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 2230a_100016988085_100000230001 [0,1,0,0,1,0|1,0,0]=3 5584 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 34a_100016988085_100000230001 [0,1,0,0,1,0|1,0,0]=3 5585 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 34a_100000690690_100011934791 [0,1,0,0,1,0|1,1,0]=4 5586 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 7a_100000690690_100011934791 [0,1,0,0,1,0|1,1,0]=4 5587 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 34a_100000690690_100000230001 [0,1,0,0,1,0|2,0,0]=4 5588 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 7a_100000690690_100011215043 [0,1,0,0,1,0|2,0,0]=4 5589 B14R1.19 Cc1ccc(cn1)C(C)NCCCF 2230a_100011815741_100011934791 [0,1,0,0,1,0|1,1,0]=4 5590 B14R1.19 Cc1ccc(cn1)C(C)NCCCF 269862a_100015189416_100011280547 [0,1,0,0,1,0|1,1,0]=4 5591 B14R1.19 Cc1ccc(cn1)C(C)NCCCF 34a_100011815741_100011934791 [0,1,0,0,1,0|1,1,0]=4 5592 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 2230a_100011815741_100000230001 [0,1,0,0,1,0|2,0,0]=4 5593 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 269862a_100000182051_100011280547 [0,1,0,0,1,0|2,0,0]=4 5594 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 34a_100011815741_100000230001 [0,1,0,0,1,0|2,0,0]=4 5595 B14R1.19 Cc1ccc(nc1)C(C)NCCCF 269862a_100015189416_100000084104 [0,1,0,0,1,0|1,1,0]=4 5596 B14R1.19 Cc1ccc(nc1)C(C)NCCCF 270004a_100015189416_100000084104 [0,1,0,0,1,0|1,1,0]=4 5597 B14R1.19 Cc1ccc(nc1)C(C)NCCCO 269862a_100000182051_100000084104 [0,1,0,0,1,0|2,0,0]=4 5598 B14R1.19 Cc1ccc(nc1)C(C)NCCCO 270004a_100000182051_100000084104 [0,1,0,0,1,0|2,0,0]=4 5599 B14R1.20 C#CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000688953 [0,1,0,0,1,0|1,0,1]=4 5600 B14R1.20 C#CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000688953 [0,1,0,0,1,0|1,0,1]=4 5601 B14R1.20 C#CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000688953 [0,1,0,0,1,0|1,0,1]=4 5602 B14R1.20 C#CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000688953 [0,1,0,0,1,0|1,0,1]=4 5603 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000688953 [0,1,0,0,1,0|1,0,1]=4 5604 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000688953 [0,1,0,0,1,0|1,0,1]=4 5605 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000688953 [0,1,0,0,1,0|1,0,1]=4 5606 B14R1.20 C#CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000688953 [0,1,0,0,1,0|1,0,1]=4 5607 B14R1.20 C=CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000754431 [0,1,0,0,1,0|1,0,1]=4 5608 B14R1.20 C=CCCNC(C)c1cccc(c1)Br 269862a_100015191253_100000210093 [0,1,0,0,1,0|1,0,1]=4 5609 B14R1.20 C=CCCNC(C)c1cccc(c1)C 269862a_100015191253_100000211476 [0,1,0,0,1,0|1,0,1]=4 5610 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000754431 [0,1,0,0,1,0|1,0,1]=4 5611 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 269862a_100015191253_200000210964 [0,1,0,0,1,0|1,0,1]=4 5612 B14R1.20 C=CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000754431 [0,1,0,0,1,0|1,0,1]=4 5613 B14R1.20 C=CCCNC(C)c1cccc(c1)F 269862a_100015191253_100000187083 [0,1,0,0,1,0|1,0,1]=4 5614 B14R1.20 C=CCCNC(C)c1cccc(c1)I 269862a_100015191253_100011356966 [0,1,0,0,1,0|1,0,1]=4 5615 B14R1.20 C=CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000754431 [0,1,0,0,1,0|1,0,1]=4 5616 B14R1.20 C=CCCNC(C)c1cccc(c1)O 269862a_100015191253_100000211620 [0,1,0,0,1,0|1,0,1]=4 5617 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000754431 [0,1,0,0,1,0|1,0,1]=4 5618 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000754431 [0,1,0,0,1,0|1,0,1]=4 5619 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000754431 [0,1,0,0,1,0|1,0,1]=4 5620 B14R1.20 C=CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000754431 [0,1,0,0,1,0|1,0,1]=4 5621 B14R1.20 CC(NCCC#N)c1cccc(c1)Br 2230a_100020642005_100011215226 [0,1,0,0,1,0|1,0,1]=4 5622 B14R1.20 CC(NCCC#N)c1cccc(c1)Cl 2230a_100102723534_100011215226 [0,1,0,0,1,0|1,0,1]=4 5623 B14R1.20 CC(NCCC#N)c1cccc(c1)O 2230a_100000740644_100011215226 [0,1,0,0,1,0|1,0,1]=4 5624 B14R1.20 CC(NCCCF)c1cc(ccn1)Br 269862a_100015189416_100000709912 [0,1,0,0,1,0|1,1,0]=4 5625 B14R1.20 CC(NCCCF)c1cc(ccn1)Br 270004a_100015189416_100000709912 [0,1,0,0,1,0|1,1,0]=4 5626 B14R1.20 CC(NCCCF)c1cc(ccn1)Cl 269862a_100015189416_100000099826 [0,1,0,0,1,0|1,1,0]=4 5627 B14R1.20 CC(NCCCF)c1cc(ccn1)Cl 270004a_100015189416_100000099826 [0,1,0,0,1,0|1,1,0]=4 5628 B14R1.20 CC(NCCCF)c1cccc(c1)Br 2230a_100020642005_100011934791 [0,1,0,0,1,0|0,1,0]=3 5629 B14R1.20 CC(NCCCF)c1cccc(c1)Br 269862a_100015189416_100000210093 [0,1,0,0,1,0|0,1,0]=3 5630 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 2230a_100102723534_100011934791 [0,1,0,0,1,0|0,1,0]=3 5631 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 269862a_100015189416_200000210964 [0,1,0,0,1,0|0,1,0]=3 5632 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 34a_100102723534_100011934791 [0,1,0,0,1,0|0,1,0]=3 5633 B14R1.20 CC(NCCCF)c1cccc(c1)F 269862a_100015189416_100000187083 [0,1,0,0,1,0|0,1,0]=3 5634 B14R1.20 CC(NCCCF)c1cccc(c1)I 269862a_100015189416_100011356966 [0,1,0,0,1,0|0,1,0]=3 5635 B14R1.20 CC(NCCCF)c1cccc(c1)O 2230a_100000740644_100011934791 [0,1,0,0,1,0|0,1,0]=3 5636 B14R1.20 CC(NCCCF)c1cccc(c1)O 269862a_100015189416_100000211620 [0,1,0,0,1,0|0,1,0]=3 5637 B14R1.20 CC(NCCCF)c1cccc(n1)Br 2230a_200010173468_100011934791 [0,1,0,0,1,0|1,1,0]=4 5638 B14R1.20 CC(NCCCF)c1cccc(n1)Br 269862a_100015189416_100009816502 [0,1,0,0,1,0|1,1,0]=4 5639 B14R1.20 CC(NCCCF)c1cccc(n1)Cl 269862a_100015189416_100000085735 [0,1,0,0,1,0|1,1,0]=4 5640 B14R1.20 CC(NCCCF)c1cccc(n1)F 269862a_100015189416_100000092306 [0,1,0,0,1,0|1,1,0]=4 5641 B14R1.20 CC(NCCCF)c1ccnc(c1)Br 269862a_100015189416_100010177706 [0,1,0,0,1,0|1,1,0]=4 5642 B14R1.20 CC(NCCCF)c1ccnc(c1)Cl 269862a_100015189416_100000685609 [0,1,0,0,1,0|1,1,0]=4 5643 B14R1.20 CC(NCCCF)c1cncc(c1)Br 269862a_100015189416_100011216243 [0,1,0,0,1,0|1,1,0]=4 5644 B14R1.20 CC(NCCCF)c1cncc(c1)F 269862a_100015189416_100000758212 [0,1,0,0,1,0|1,1,0]=4 5645 B14R1.20 CC(NCCCO)c1cc(ccn1)Br 269862a_100000182051_100000709912 [0,1,0,0,1,0|2,0,0]=4 5646 B14R1.20 CC(NCCCO)c1cc(ccn1)Br 270004a_100000182051_100000709912 [0,1,0,0,1,0|2,0,0]=4 5647 B14R1.20 CC(NCCCO)c1cc(ccn1)Cl 269862a_100000182051_100000099826 [0,1,0,0,1,0|2,0,0]=4 5648 B14R1.20 CC(NCCCO)c1cc(ccn1)Cl 270004a_100000182051_100000099826 [0,1,0,0,1,0|2,0,0]=4 5649 B14R1.20 CC(NCCCO)c1cccc(c1)Br 2230a_100020642005_100000230001 [0,1,0,0,1,0|1,0,0]=3 5650 B14R1.20 CC(NCCCO)c1cccc(c1)Br 269862a_100000182051_100000210093 [0,1,0,0,1,0|1,0,0]=3 5651 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 2230a_100102723534_100000230001 [0,1,0,0,1,0|1,0,0]=3 5652 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 269862a_100000182051_200000210964 [0,1,0,0,1,0|1,0,0]=3 5653 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 34a_100102723534_100000230001 [0,1,0,0,1,0|1,0,0]=3 5654 B14R1.20 CC(NCCCO)c1cccc(c1)F 269862a_100000182051_100000187083 [0,1,0,0,1,0|1,0,0]=3 5655 B14R1.20 CC(NCCCO)c1cccc(c1)I 269862a_100000182051_100011356966 [0,1,0,0,1,0|1,0,0]=3 5656 B14R1.20 CC(NCCCO)c1cccc(c1)O 2230a_100000740644_100000230001 [0,1,0,0,1,0|1,0,0]=3 5657 B14R1.20 CC(NCCCO)c1cccc(c1)O 269862a_100000182051_100000211620 [0,1,0,0,1,0|1,0,0]=3 5658 B14R1.20 CC(NCCCO)c1cccc(n1)Br 2230a_200010173468_100000230001 [0,1,0,0,1,0|2,0,0]=4 5659 B14R1.20 CC(NCCCO)c1cccc(n1)Br 269862a_100000182051_100009816502 [0,1,0,0,1,0|2,0,0]=4 5660 B14R1.20 CC(NCCCO)c1cccc(n1)Cl 269862a_100000182051_100000085735 [0,1,0,0,1,0|2,0,0]=4 5661 B14R1.20 CC(NCCCO)c1cccc(n1)F 269862a_100000182051_100000092306 [0,1,0,0,1,0|2,0,0]=4 5662 B14R1.20 CC(NCCCO)c1ccnc(c1)Br 269862a_100000182051_100010177706 [0,1,0,0,1,0|2,0,0]=4 5663 B14R1.20 CC(NCCCO)c1ccnc(c1)Cl 269862a_100000182051_100000685609 [0,1,0,0,1,0|2,0,0]=4 5664 B14R1.20 CC(NCCCO)c1cncc(c1)Br 269862a_100000182051_100011216243 [0,1,0,0,1,0|2,0,0]=4 5665 B14R1.20 CC(NCCCO)c1cncc(c1)F 269862a_100000182051_100000758212 [0,1,0,0,1,0|2,0,0]=4 5666 B14R1.20 CC(OCCCF)c1cccc(c1)Br 34a_100000246457_100011934791 [0,1,0,0,1,0|1,1,0]=4 5667 B14R1.20 CC(OCCCF)c1cccc(c1)Br 7a_100000246457_100011934791 [0,1,0,0,1,0|1,1,0]=4 5668 B14R1.20 CC(OCCCF)c1cccc(c1)F 34a_100000744526_100011934791 [0,1,0,0,1,0|1,1,0]=4 5669 B14R1.20 CC(OCCCF)c1cccc(c1)F 7a_100000744526_100011934791 [0,1,0,0,1,0|1,1,0]=4 5670 B14R1.20 CC(OCCCF)c1cccc(c1)I 34a_100013085317_100011934791 [0,1,0,0,1,0|1,1,0]=4 5671 B14R1.20 CC(OCCCF)c1cccc(c1)I 7a_100013085317_100011934791 [0,1,0,0,1,0|1,1,0]=4 5672 B14R1.20 CC(OCCCF)c1cccc(c1)N 34a_100011217120_100011934791 [0,1,0,0,1,0|1,1,0]=4 5673 B14R1.20 CC(OCCCF)c1cccc(c1)N 7a_100011217120_100011934791 [0,1,0,0,1,0|1,1,0]=4 5674 B14R1.20 CC(OCCCO)c1cccc(c1)Br 34a_100000246457_100000230001 [0,1,0,0,1,0|2,0,0]=4 5675 B14R1.20 CC(OCCCO)c1cccc(c1)Br 7a_100000246457_100011215043 [0,1,0,0,1,0|2,0,0]=4 5676 B14R1.20 CC(OCCCO)c1cccc(c1)F 34a_100000744526_100000230001 [0,1,0,0,1,0|2,0,0]=4 5677 B14R1.20 CC(OCCCO)c1cccc(c1)F 7a_100000744526_100011215043 [0,1,0,0,1,0|2,0,0]=4 5678 B14R1.20 CC(OCCCO)c1cccc(c1)I 34a_100013085317_100000230001 [0,1,0,0,1,0|2,0,0]=4 5679 B14R1.20 CC(OCCCO)c1cccc(c1)I 7a_100013085317_100011215043 [0,1,0,0,1,0|2,0,0]=4 5680 B14R1.20 CC(OCCCO)c1cccc(c1)N 34a_100011217120_100000230001 [0,1,0,0,1,0|2,0,0]=4 5681 B14R1.20 CC(OCCCO)c1cccc(c1)N 7a_100011217120_100011215043 [0,1,0,0,1,0|2,0,0]=4 5682 B14R1.20 CCCCNC(C)c1cc(ccn1)Br 269862a_100000102301_100000709912 [0,1,0,0,1,0|2,0,0]=4 5683 B14R1.20 CCCCNC(C)c1cc(ccn1)Br 270004a_100000102301_100000709912 [0,1,0,0,1,0|2,0,0]=4 5684 B14R1.20 CCCCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210211 [0,1,0,0,1,0|2,0,0]=4 5685 B14R1.20 CCCCNC(C)c1cc(ccn1)C 269862a_100000102301_100000728896 [0,1,0,0,1,0|2,0,0]=4 5686 B14R1.20 CCCCNC(C)c1cc(ccn1)C 270004a_100000102301_100000728896 [0,1,0,0,1,0|2,0,0]=4 5687 B14R1.20 CCCCNC(C)c1cc(ccn1)Cl 269862a_100000102301_100000099826 [0,1,0,0,1,0|2,0,0]=4 5688 B14R1.20 CCCCNC(C)c1cc(ccn1)Cl 270004a_100000102301_100000099826 [0,1,0,0,1,0|2,0,0]=4 5689 B14R1.20 CCCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210211 [0,1,0,0,1,0|1,0,0]=3 5690 B14R1.20 CCCCNC(C)c1cccc(c1)Br 269862a_100000102301_100000210093 [0,1,0,0,1,0|1,0,0]=3 5691 B14R1.20 CCCCNC(C)c1cccc(c1)C 269862a_100000102301_100000211476 [0,1,0,0,1,0|1,0,0]=3 5692 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210211 [0,1,0,0,1,0|1,0,0]=3 5693 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 269862a_100000102301_200000210964 [0,1,0,0,1,0|1,0,0]=3 5694 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210210 [0,1,0,0,1,0|1,0,0]=3 5695 B14R1.20 CCCCNC(C)c1cccc(c1)F 269862a_100000102301_100000187083 [0,1,0,0,1,0|1,0,0]=3 5696 B14R1.20 CCCCNC(C)c1cccc(c1)I 269862a_100000102301_100011356966 [0,1,0,0,1,0|1,0,0]=3 5697 B14R1.20 CCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210211 [0,1,0,0,1,0|1,0,0]=3 5698 B14R1.20 CCCCNC(C)c1cccc(c1)O 269862a_100000102301_100000211620 [0,1,0,0,1,0|1,0,0]=3 5699 B14R1.20 CCCCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210211 [0,1,0,0,1,0|2,0,0]=4 5700 B14R1.20 CCCCNC(C)c1cccc(n1)Br 269862a_100000102301_100009816502 [0,1,0,0,1,0|2,0,0]=4 5701 B14R1.20 CCCCNC(C)c1cccc(n1)C 2230a_100011877385_100000210211 [0,1,0,0,1,0|2,0,0]=4 5702 B14R1.20 CCCCNC(C)c1cccc(n1)C 269862a_100000102301_100011877301 [0,1,0,0,1,0|2,0,0]=4 5703 B14R1.20 CCCCNC(C)c1cccc(n1)Cl 269862a_100000102301_100000085735 [0,1,0,0,1,0|2,0,0]=4 5704 B14R1.20 CCCCNC(C)c1cccc(n1)F 269862a_100000102301_100000092306 [0,1,0,0,1,0|2,0,0]=4 5705 B14R1.20 CCCCNC(C)c1ccnc(c1)Br 269862a_100000102301_100010177706 [0,1,0,0,1,0|2,0,0]=4 5706 B14R1.20 CCCCNC(C)c1ccnc(c1)C 269862a_100000102301_100011998260 [0,1,0,0,1,0|2,0,0]=4 5707 B14R1.20 CCCCNC(C)c1ccnc(c1)Cl 269862a_100000102301_100000685609 [0,1,0,0,1,0|2,0,0]=4 5708 B14R1.20 CCCCNC(C)c1cncc(c1)Br 269862a_100000102301_100011216243 [0,1,0,0,1,0|2,0,0]=4 5709 B14R1.20 CCCCNC(C)c1cncc(c1)C 269862a_100000102301_100000702010 [0,1,0,0,1,0|2,0,0]=4 5710 B14R1.20 CCCCNC(C)c1cncc(c1)F 269862a_100000102301_100000758212 [0,1,0,0,1,0|2,0,0]=4 5711 B14R1.20 CCCCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210211 [0,1,0,0,1,0|2,0,0]=4 5712 B14R1.20 CCCCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210210 [0,1,0,0,1,0|2,0,0]=4 5713 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210211 [0,1,0,0,1,0|1,0,0]=3 5714 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210210 [0,1,0,0,1,0|1,0,0]=3 5715 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210211 [0,1,0,0,1,0|1,0,0]=3 5716 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210210 [0,1,0,0,1,0|1,0,0]=3 5717 B14R1.20 CCCCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210211 [0,1,0,0,1,0|2,0,0]=4 5718 B14R1.20 CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210210 [0,1,0,0,1,0|2,0,0]=4 5719 B14R1.20 CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210211 [0,1,0,0,1,0|2,0,0]=4 5720 B14R1.20 CCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210210 [0,1,0,0,1,0|2,0,0]=4 5721 B14R1.20 CCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210211 [0,1,0,0,1,0|2,0,0]=4 5722 B14R1.20 CCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210210 [0,1,0,0,1,0|2,0,0]=4 5723 B14R1.20 CCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210211 [0,1,0,0,1,0|2,0,0]=4 5724 B14R1.20 CCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210210 [0,1,0,0,1,0|2,0,0]=4 5725 B14R1.20 CCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210211 [0,1,0,0,1,0|2,0,0]=4 5726 B14R1.20 CCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210210 [0,1,0,0,1,0|2,0,0]=4 5727 B14R1.20 CCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210211 [0,1,0,0,1,0|2,0,0]=4 5728 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210210 [0,1,0,0,1,0|2,0,0]=4 5729 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210211 [0,1,0,0,1,0|2,0,0]=4 5730 B14R1.20 COCCNC(C)c1cccc(c1)Br 2230a_100020642005_100011201679 [0,1,0,0,1,0|2,0,0]=4 5731 B14R1.20 COCCNC(C)c1cccc(c1)Br 269862a_100000209980_100000210093 [0,1,0,0,1,0|2,0,0]=4 5732 B14R1.20 COCCNC(C)c1cccc(c1)C 269862a_100000209980_100000211476 [0,1,0,0,1,0|2,0,0]=4 5733 B14R1.20 COCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100011201679 [0,1,0,0,1,0|2,0,0]=4 5734 B14R1.20 COCCNC(C)c1cccc(c1)Cl 269862a_100000209980_200000210964 [0,1,0,0,1,0|2,0,0]=4 5735 B14R1.20 COCCNC(C)c1cccc(c1)Cl 34a_100102723534_100011201679 [0,1,0,0,1,0|2,0,0]=4 5736 B14R1.20 COCCNC(C)c1cccc(c1)F 269862a_100000209980_100000187083 [0,1,0,0,1,0|2,0,0]=4 5737 B14R1.20 COCCNC(C)c1cccc(c1)I 269862a_100000209980_100011356966 [0,1,0,0,1,0|2,0,0]=4 5738 B14R1.20 COCCNC(C)c1cccc(c1)O 2230a_100000740644_100011201679 [0,1,0,0,1,0|2,0,0]=4 5739 B14R1.20 COCCNC(C)c1cccc(c1)O 269862a_100000209980_100000211620 [0,1,0,0,1,0|2,0,0]=4 5740 B14R1.20 COCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011201679 [0,1,0,0,1,0|2,0,0]=4 5741 B14R1.20 COCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011201679 [0,1,0,0,1,0|2,0,0]=4 5742 B14R1.20 COCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100011201679 [0,1,0,0,1,0|2,0,0]=4 5743 B14R1.20 COCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100011201679 [0,1,0,0,1,0|2,0,0]=4 5744 B14R1.20 CSCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000751147 [0,1,0,0,1,0|2,0,0]=4 5745 B14R1.20 CSCCNC(C)c1cccc(c1)Br 269862a_100020590264_100000210093 [0,1,0,0,1,0|2,0,0]=4 5746 B14R1.20 CSCCNC(C)c1cccc(c1)C 269862a_100020590264_100000211476 [0,1,0,0,1,0|2,0,0]=4 5747 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000751147 [0,1,0,0,1,0|2,0,0]=4 5748 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 269862a_100020590264_200000210964 [0,1,0,0,1,0|2,0,0]=4 5749 B14R1.20 CSCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000212216 [0,1,0,0,1,0|2,0,0]=4 5750 B14R1.20 CSCCNC(C)c1cccc(c1)F 269862a_100020590264_100000187083 [0,1,0,0,1,0|2,0,0]=4 5751 B14R1.20 CSCCNC(C)c1cccc(c1)I 269862a_100020590264_100011356966 [0,1,0,0,1,0|2,0,0]=4 5752 B14R1.20 CSCCNC(C)c1cccc(c1)O 2230a_100000740644_100000751147 [0,1,0,0,1,0|2,0,0]=4 5753 B14R1.20 CSCCNC(C)c1cccc(c1)O 269862a_100020590264_100000211620 [0,1,0,0,1,0|2,0,0]=4 5754 B14R1.20 CSCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000751147 [0,1,0,0,1,0|2,0,0]=4 5755 B14R1.20 CSCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000212216 [0,1,0,0,1,0|2,0,0]=4 5756 B14R1.20 CSCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000751147 [0,1,0,0,1,0|2,0,0]=4 5757 B14R1.20 CSCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000212216 [0,1,0,0,1,0|2,0,0]=4 5758 B14R1.20 C[C@@H](NCCC#N)c1cccc(c1)F 2230a_100015193778_100011215226 [0,1,0,0,1,0|1,0,1]=4 5759 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 2230a_100015193778_100011934791 [0,1,0,0,1,0|0,1,0]=3 5760 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 34a_100015193778_100011934791 [0,1,0,0,1,0|0,1,0]=3 5761 B14R1.20 C[C@@H](NCCCF)c1cncc(c1)Br 2230a_100012350620_100011934791 [0,1,0,0,1,0|1,1,0]=4 5762 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 2230a_100015193778_100000230001 [0,1,0,0,1,0|1,0,0]=3 5763 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 34a_100015193778_100000230001 [0,1,0,0,1,0|1,0,0]=3 5764 B14R1.20 C[C@@H](NCCCO)c1cncc(c1)Br 2230a_100012350620_100000230001 [0,1,0,0,1,0|2,0,0]=4 5765 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 34a_100000747380_100011934791 [0,1,0,0,1,0|1,1,0]=4 5766 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 7a_100000747380_100011934791 [0,1,0,0,1,0|1,1,0]=4 5767 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 34a_100000747380_100000230001 [0,1,0,0,1,0|2,0,0]=4 5768 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 7a_100000747380_100011215043 [0,1,0,0,1,0|2,0,0]=4 5769 B14R1.20 C[C@H](NCCCF)c1cccc(n1)F 2230a_100025709760_100011934791 [0,1,0,0,1,0|1,1,0]=4 5770 B14R1.20 C[C@H](NCCCF)c1cccc(n1)F 34a_100025709760_100011934791 [0,1,0,0,1,0|1,1,0]=4 5771 B14R1.20 C[C@H](NCCCO)c1cccc(n1)F 2230a_100025709760_100000230001 [0,1,0,0,1,0|2,0,0]=4 5772 B14R1.20 C[C@H](NCCCO)c1cccc(n1)F 34a_100025709760_100000230001 [0,1,0,0,1,0|2,0,0]=4 5773 B14R1.20 Cc1cc(ccn1)C(C)NCCCF 269862a_100015189416_100011998260 [0,1,0,0,1,0|1,1,0]=4 5774 B14R1.20 Cc1cc(ccn1)C(C)NCCCO 269862a_100000182051_100011998260 [0,1,0,0,1,0|2,0,0]=4 5775 B14R1.20 Cc1cccc(c1)C(C)NCCCF 269862a_100015189416_100000211476 [0,1,0,0,1,0|0,1,0]=3 5776 B14R1.20 Cc1cccc(c1)C(C)NCCCO 269862a_100000182051_100000211476 [0,1,0,0,1,0|1,0,0]=3 5777 B14R1.20 Cc1cccc(c1)C(C)OCCCF 34a_100000757818_100011934791 [0,1,0,0,1,0|1,1,0]=4 5778 B14R1.20 Cc1cccc(c1)C(C)OCCCF 7a_100000757818_100011934791 [0,1,0,0,1,0|1,1,0]=4 5779 B14R1.20 Cc1cccc(c1)C(C)OCCCO 34a_100000757818_100000230001 [0,1,0,0,1,0|2,0,0]=4 5780 B14R1.20 Cc1cccc(c1)C(C)OCCCO 7a_100000757818_100011215043 [0,1,0,0,1,0|2,0,0]=4 5781 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCC#N 2230a_100000698126_100011215226 [0,1,0,0,1,0|1,0,1]=4 5782 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 2230a_100000698126_100011934791 [0,1,0,0,1,0|0,1,0]=3 5783 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 34a_100000698126_100011934791 [0,1,0,0,1,0|0,1,0]=3 5784 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 2230a_100000698126_100000230001 [0,1,0,0,1,0|1,0,0]=3 5785 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 34a_100000698126_100000230001 [0,1,0,0,1,0|1,0,0]=3 5786 B14R1.20 Cc1cccc(n1)C(C)NCCCF 2230a_100011877385_100011934791 [0,1,0,0,1,0|1,1,0]=4 5787 B14R1.20 Cc1cccc(n1)C(C)NCCCF 269862a_100015189416_100011877301 [0,1,0,0,1,0|1,1,0]=4 5788 B14R1.20 Cc1cccc(n1)C(C)NCCCO 2230a_100011877385_100000230001 [0,1,0,0,1,0|2,0,0]=4 5789 B14R1.20 Cc1cccc(n1)C(C)NCCCO 269862a_100000182051_100011877301 [0,1,0,0,1,0|2,0,0]=4 5790 B14R1.20 Cc1ccnc(c1)C(C)NCCCF 2230a_100011933787_100011934791 [0,1,0,0,1,0|1,1,0]=4 5791 B14R1.20 Cc1ccnc(c1)C(C)NCCCF 269862a_100015189416_100000728896 [0,1,0,0,1,0|1,1,0]=4 5792 B14R1.20 Cc1ccnc(c1)C(C)NCCCF 270004a_100015189416_100000728896 [0,1,0,0,1,0|1,1,0]=4 5793 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 2230a_100011933787_100000230001 [0,1,0,0,1,0|2,0,0]=4 5794 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 269862a_100000182051_100000728896 [0,1,0,0,1,0|2,0,0]=4 5795 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 270004a_100000182051_100000728896 [0,1,0,0,1,0|2,0,0]=4 5796 B14R1.20 Cc1cncc(c1)C(C)NCCCF 269862a_100015189416_100000702010 [0,1,0,0,1,0|1,1,0]=4 5797 B14R1.20 Cc1cncc(c1)C(C)NCCCO 269862a_100000182051_100000702010 [0,1,0,0,1,0|2,0,0]=4 5798 B14R1.29 CC(CC#N)N[C@H](C)c1ccccc1 2230a_100000751104_100009813641 [0,1,0,0,1,0|1,0,1]=4 5799 B14R1.29 CC(CCBr)OC(C)c1ccccc1 34a_100012276601_100000211855 [0,1,0,0,1,0|1,1,0]=4 5800 B14R1.29 CC(CCO)NC(C)c1ccccn1 2230a_100000181244_100009893172 [0,1,0,0,1,0|2,0,0]=4 5801 B14R1.29 CC(CCO)NC(C)c1cccnc1 2230a_100000195435_100009893172 [0,1,0,0,1,0|2,0,0]=4 5802 B14R1.29 CC(CCO)NC(C)c1ccncc1 2230a_100000181269_100009893172 [0,1,0,0,1,0|2,0,0]=4 5803 B14R1.29 CC(CCO)N[C@H](C)c1ccccc1 2230a_100000751104_100009893172 [0,1,0,0,1,0|1,0,0]=3 5804 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 34a_100000761318_100009893172 [0,1,0,0,1,0|2,0,0]=4 5805 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 7a_100000761318_100009893172 [0,1,0,0,1,0|2,0,0]=4 5806 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100000230085_100009893172 [0,1,0,0,1,0|2,0,0]=4 5807 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100009893172_100000230085 [0,1,0,0,1,0|2,0,0]=4 5808 B14R1.29 CC(N[C@@H](C)CC#N)c1ccccc1 2230a_100016994482_100000230085 [0,1,0,0,1,0|1,0,1]=4 5809 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000230085 [0,1,0,0,1,0|1,0,0]=3 5810 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 269862a_100000706166_100000185851 [0,1,0,0,1,0|1,0,0]=3 5811 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 34a_100000706166_100000211855 [0,1,0,0,1,0|1,0,0]=3 5812 B14R1.29 CC(N[C@H](C)CCO)c1ccccn1 269862a_100000706166_100000210467 [0,1,0,0,1,0|2,0,0]=4 5813 B14R1.29 CC(N[C@H](C)CCO)c1cccnc1 269862a_100000706166_100000210468 [0,1,0,0,1,0|2,0,0]=4 5814 B14R1.29 CC(N[C@H](C)CCO)c1ccncc1 269862a_100000706166_100000185792 [0,1,0,0,1,0|2,0,0]=4 5815 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211992 [0,1,0,0,1,0|1,0,1]=4 5816 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211992 [0,1,0,0,1,0|1,0,1]=4 5817 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211992 [0,1,0,0,1,0|1,0,1]=4 5818 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211992 [0,1,0,0,1,0|1,0,1]=4 5819 B14R1.29 CCCC(C)NC(C)c1ccccc1 2230a_100000741246_100000230085 [0,1,0,0,1,0|1,0,0]=3 5820 B14R1.29 CCCC(C)NC(C)c1ccccc1 269862a_100000741246_100000185851 [0,1,0,0,1,0|1,0,0]=3 5821 B14R1.29 CCCC(C)NC(C)c1ccccn1 2230a_100000181244_100000766640 [0,1,0,0,1,0|2,0,0]=4 5822 B14R1.29 CCCC(C)NC(C)c1ccccn1 269862a_100000741246_100000210467 [0,1,0,0,1,0|2,0,0]=4 5823 B14R1.29 CCCC(C)NC(C)c1ccccn1 270004a_100000181244_100000211909 [0,1,0,0,1,0|2,0,0]=4 5824 B14R1.29 CCCC(C)NC(C)c1cccnc1 2230a_100000195435_100000766640 [0,1,0,0,1,0|2,0,0]=4 5825 B14R1.29 CCCC(C)NC(C)c1cccnc1 269862a_100000741246_100000210468 [0,1,0,0,1,0|2,0,0]=4 5826 B14R1.29 CCCC(C)NC(C)c1cccnc1 270004a_100000195435_100000211909 [0,1,0,0,1,0|2,0,0]=4 5827 B14R1.29 CCCC(C)NC(C)c1ccncc1 2230a_100000181269_100000766640 [0,1,0,0,1,0|2,0,0]=4 5828 B14R1.29 CCCC(C)NC(C)c1ccncc1 269862a_100000741246_100000185792 [0,1,0,0,1,0|2,0,0]=4 5829 B14R1.29 CCCC(C)NC(C)c1ccncc1 270004a_100000181269_100000211909 [0,1,0,0,1,0|2,0,0]=4 5830 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000766640 [0,1,0,0,1,0|1,0,0]=3 5831 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211909 [0,1,0,0,1,0|1,0,0]=3 5832 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,1,0,0,1,0|2,0,0]=4 5833 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,1,0,0,1,0|2,0,0]=4 5834 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,1,0,0,1,0|2,0,0]=4 5835 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,1,0,0,1,0|2,0,0]=4 5836 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000230085_100000766640 [0,1,0,0,1,0|2,0,0]=4 5837 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000766640_100000230085 [0,1,0,0,1,0|2,0,0]=4 5838 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000765312 [0,1,0,0,1,0|2,0,0]=4 5839 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000749346 [0,1,0,0,1,0|2,0,0]=4 5840 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 2230a_100000764878_100000230085 [0,1,0,0,1,0|2,0,0]=4 5841 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 269862a_100000764878_100000185851 [0,1,0,0,1,0|2,0,0]=4 5842 B14R1.29 CSCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100011216314 [0,1,0,0,1,0|2,0,0]=4 5843 B14R1.29 C[C@@H](NC(=O)CCO)c1ccccc1 240690a_100000751104_100011216618 [0,1,0,0,1,0|1,0,1]=4 5844 B14R1.46 C#CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000688953 [0,1,0,0,1,0|1,0,1]=4 5845 B14R1.46 C=CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000754431 [0,1,0,0,1,0|1,0,1]=4 5846 B14R1.46 C=CCCNC(C)(C)c1ccccc1 2230a_100015191253_100000034625 [0,1,0,0,1,0|1,0,1]=4 5847 B14R1.46 CC(C)(NCCC#N)c1ccccc1 2230a_100011218174_100011215226 [0,1,0,0,1,0|1,0,1]=4 5848 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100011218174_100011934791 [0,1,0,0,1,0|0,1,0]=3 5849 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100015189416_100000034625 [0,1,0,0,1,0|0,1,0]=3 5850 B14R1.46 CC(C)(NCCCF)c1ccccn1 2230a_100011999416_100011934791 [0,1,0,0,1,0|1,1,0]=4 5851 B14R1.46 CC(C)(NCCCF)c1cccnc1 2230a_100011376175_100011934791 [0,1,0,0,1,0|1,1,0]=4 5852 B14R1.46 CC(C)(NCCCO)c1ccccc1 2230a_100011218174_100000230001 [0,1,0,0,1,0|1,0,0]=3 5853 B14R1.46 CC(C)(NCCCO)c1ccccn1 2230a_100011999416_100000230001 [0,1,0,0,1,0|2,0,0]=4 5854 B14R1.46 CC(C)(NCCCO)c1cccnc1 2230a_100011376175_100000230001 [0,1,0,0,1,0|2,0,0]=4 5855 B14R1.46 CC(C)(OCCCF)c1ccccc1 7a_100000694644_100011934791 [0,1,0,0,1,0|1,1,0]=4 5856 B14R1.46 CC(C)(OCCCO)c1ccccc1 7a_100000694644_100011215043 [0,1,0,0,1,0|2,0,0]=4 5857 B14R1.46 CC(C)(SCCCF)c1ccccc1 62a_100000034625_100011934791 [0,1,0,0,1,0|1,1,0]=4 5858 B14R1.46 CC(C)(SCCCF)c1ccccc1 62a_100011934791_100000034625 [0,1,0,0,1,0|1,1,0]=4 5859 B14R1.46 CC(C)(SCCCO)c1ccccc1 62a_100000034625_100011215043 [0,1,0,0,1,0|2,0,0]=4 5860 B14R1.46 CC(C)(SCCCO)c1ccccc1 62a_100011215043_100000034625 [0,1,0,0,1,0|2,0,0]=4 5861 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100000102301_100000034625 [0,1,0,0,1,0|1,0,0]=3 5862 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210211 [0,1,0,0,1,0|1,0,0]=3 5863 B14R1.46 CCCCNC(C)(C)c1ccccn1 2230a_100011999416_100000210211 [0,1,0,0,1,0|2,0,0]=4 5864 B14R1.46 CCCCNC(C)(C)c1cccnc1 2230a_100011376175_100000210211 [0,1,0,0,1,0|2,0,0]=4 5865 B14R1.46 CCCCNC(F)(F)c1ccccc1 7a_106832991798_100000036403 [0,1,0,0,1,0|2,0,0]=4 5866 B14R1.46 CCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210211 [0,1,0,0,1,0|2,0,0]=4 5867 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000034625_100000210210 [0,1,0,0,1,0|2,0,0]=4 5868 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000210211_100000034625 [0,1,0,0,1,0|2,0,0]=4 5869 B14R1.46 COCCNC(C)(C)c1ccccc1 2230a_100000209980_100000034625 [0,1,0,0,1,0|2,0,0]=4 5870 B14R1.46 COCCNC(C)(C)c1ccccc1 2230a_100011218174_100011201679 [0,1,0,0,1,0|2,0,0]=4 5871 B14R1.46 CSCCNC(C)(C)c1ccccc1 2230a_100011218174_100000751147 [0,1,0,0,1,0|2,0,0]=4 5872 B14R1.46 CSCCNC(C)(C)c1ccccc1 2230a_100020590264_100000034625 [0,1,0,0,1,0|2,0,0]=4 5873 B14R1.121 C#CCCNC(CC)c1ccccc1 2230a_100000737752_100000688953 [0,1,0,0,1,0|1,0,1]=4 5874 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000688953 [0,1,0,0,1,0|1,0,1]=4 5875 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000688953 [0,1,0,0,1,0|1,0,1]=4 5876 B14R1.121 C=CC(NCCCC)c1ccccc1 2230a_100000102301_200000085779 [0,1,0,0,1,0|1,0,1]=4 5877 B14R1.121 C=CC(NCCCF)c1ccccc1 2230a_100015189416_200000085779 [0,1,0,0,1,0|0,1,1]=4 5878 B14R1.121 C=CCCNC(CC)c1ccccc1 2230a_100000737752_100000754431 [0,1,0,0,1,0|1,0,1]=4 5879 B14R1.121 C=CCCNC(CC)c1ccccc1 269862a_100015191253_100000210124 [0,1,0,0,1,0|1,0,1]=4 5880 B14R1.121 C=CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000754431 [0,1,0,0,1,0|1,0,1]=4 5881 B14R1.121 C=CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000754431 [0,1,0,0,1,0|1,0,1]=4 5882 B14R1.121 CCC(NCCC#N)c1ccccc1 2230a_100000737752_100011215226 [0,1,0,0,1,0|1,0,1]=4 5883 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,1,0,0,1,0|0,1,0]=3 5884 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,1,0,0,1,0|0,1,0]=3 5885 B14R1.121 CCC(NCCCF)c1ccccn1 2230a_100015186561_100011934791 [0,1,0,0,1,0|1,1,0]=4 5886 B14R1.121 CCC(NCCCF)c1ccccn1 269862a_100015189416_100000748178 [0,1,0,0,1,0|1,1,0]=4 5887 B14R1.121 CCC(NCCCF)c1cccnc1 2230a_100000246009_100011934791 [0,1,0,0,1,0|1,1,0]=4 5888 B14R1.121 CCC(NCCCF)c1cccnc1 269862a_100015189416_100011218761 [0,1,0,0,1,0|1,1,0]=4 5889 B14R1.121 CCC(NCCCF)c1ccncc1 269862a_100015189416_100011216016 [0,1,0,0,1,0|1,1,0]=4 5890 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,1,0,0,1,0|1,0,0]=3 5891 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,1,0,0,1,0|1,0,0]=3 5892 B14R1.121 CCC(NCCCO)c1ccccn1 2230a_100015186561_100000230001 [0,1,0,0,1,0|2,0,0]=4 5893 B14R1.121 CCC(NCCCO)c1ccccn1 269862a_100000182051_100000748178 [0,1,0,0,1,0|2,0,0]=4 5894 B14R1.121 CCC(NCCCO)c1cccnc1 2230a_100000246009_100000230001 [0,1,0,0,1,0|2,0,0]=4 5895 B14R1.121 CCC(NCCCO)c1cccnc1 269862a_100000182051_100011218761 [0,1,0,0,1,0|2,0,0]=4 5896 B14R1.121 CCC(NCCCO)c1ccncc1 269862a_100000182051_100011216016 [0,1,0,0,1,0|2,0,0]=4 5897 B14R1.121 CCC(NCCOC)c1ccccc1 2230a_100000737752_100011201679 [0,1,0,0,1,0|2,0,0]=4 5898 B14R1.121 CCC(NCCOC)c1ccccc1 269862a_100000209980_100000210124 [0,1,0,0,1,0|2,0,0]=4 5899 B14R1.121 CCC(NCCSC)c1ccccc1 2230a_100000737752_100000751147 [0,1,0,0,1,0|2,0,0]=4 5900 B14R1.121 CCC(NCCSC)c1ccccc1 269862a_100020590264_100000210124 [0,1,0,0,1,0|2,0,0]=4 5901 B14R1.121 CCC(OCCCF)c1ccccc1 34a_100000698172_100011934791 [0,1,0,0,1,0|1,1,0]=4 5902 B14R1.121 CCC(OCCCF)c1ccccc1 7a_100000698172_100011934791 [0,1,0,0,1,0|1,1,0]=4 5903 B14R1.121 CCC(OCCCO)c1ccccc1 34a_100000698172_100000230001 [0,1,0,0,1,0|2,0,0]=4 5904 B14R1.121 CCC(OCCCO)c1ccccc1 7a_100000698172_100011215043 [0,1,0,0,1,0|2,0,0]=4 5905 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,1,0,0,1,0|2,0,0]=4 5906 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,1,0,0,1,0|2,0,0]=4 5907 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,1,0,0,1,0|2,0,0]=4 5908 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,1,0,0,1,0|2,0,0]=4 5909 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,1,0,0,1,0|2,0,0]=4 5910 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,1,0,0,1,0|1,0,0]=3 5911 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,1,0,0,1,0|1,0,0]=3 5912 B14R1.121 CCCCNC(CC)c1ccccn1 2230a_100015186561_100000210211 [0,1,0,0,1,0|2,0,0]=4 5913 B14R1.121 CCCCNC(CC)c1ccccn1 269862a_100000102301_100000748178 [0,1,0,0,1,0|2,0,0]=4 5914 B14R1.121 CCCCNC(CC)c1cccnc1 2230a_100000246009_100000210211 [0,1,0,0,1,0|2,0,0]=4 5915 B14R1.121 CCCCNC(CC)c1cccnc1 269862a_100000102301_100011218761 [0,1,0,0,1,0|2,0,0]=4 5916 B14R1.121 CCCCNC(CC)c1ccncc1 269862a_100000102301_100011216016 [0,1,0,0,1,0|2,0,0]=4 5917 B14R1.121 CCCCNC(CO)c1ccccn1 2230a_100015196888_100000210211 [0,1,0,0,1,0|2,0,0]=4 5918 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,1,0,0,1,0|1,0,0]=3 5919 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,1,0,0,1,0|1,0,0]=3 5920 B14R1.121 CCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210211 [0,1,0,0,1,0|2,0,0]=4 5921 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,1,0,0,1,0|2,0,0]=4 5922 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,1,0,0,1,0|2,0,0]=4 5923 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,1,0,0,1,0|2,0,0]=4 5924 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,1,0,0,1,0|2,0,0]=4 5925 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,1,0,0,1,0|2,0,0]=4 5926 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,1,0,0,1,0|2,0,0]=4 5927 B14R1.121 COCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011201679 [0,1,0,0,1,0|2,0,0]=4 5928 B14R1.121 COCCN[C@H](CO)c1ccccc1 34a_100000751927_100011201679 [0,1,0,0,1,0|2,0,0]=4 5929 B14R1.121 CSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000751147 [0,1,0,0,1,0|2,0,0]=4 5930 B14R1.121 CSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000212216 [0,1,0,0,1,0|2,0,0]=4 5931 B14R1.121 FCCCOC(CBr)c1ccccc1 7a_100000185958_100011934791 [0,1,0,0,1,0|1,1,0]=4 5932 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011934791 [0,1,0,0,1,0|1,1,0]=4 5933 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011934791 [0,1,0,0,1,0|1,1,0]=4 5934 B14R1.121 N#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215226 [0,1,0,0,1,0|1,0,1]=4 5935 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,1,0,0,1,0|1,1,0]=4 5936 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,1,0,0,1,0|2,0,0]=4 5937 B14R1.121 OCC(NCCCF)c1ccccn1 2230a_100015196888_100011934791 [0,1,0,0,1,0|1,1,0]=4 5938 B14R1.121 OCCCNC(CO)c1ccccn1 2230a_100015196888_100000230001 [0,1,0,0,1,0|2,0,0]=4 5939 B14R1.121 OCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000230001 [0,1,0,0,1,0|1,0,0]=3 5940 B14R1.121 OCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000230001 [0,1,0,0,1,0|1,0,0]=3 5941 B14R1.121 OCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000230001 [0,1,0,0,1,0|2,0,0]=4 5942 B14R1.121 OCCCOC(CBr)c1ccccc1 7a_100000185958_100011215043 [0,1,0,0,1,0|2,0,0]=4 5943 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000230001 [0,1,0,0,1,0|2,0,0]=4 5944 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215043 [0,1,0,0,1,0|2,0,0]=4 5945 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 2230a_100000751927_100011934791 [0,1,0,0,1,0|0,1,0]=3 5946 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 34a_100000751927_100011934791 [0,1,0,0,1,0|0,1,0]=3 5947 B14R1.121 OC[C@@H](NCCCF)c1ccncc1 2230a_100138412524_100011934791 [0,1,0,0,1,0|1,1,0]=4 5948 B14R1.163 C=CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000730141 [0,1,0,0,1,0|1,0,1]=4 5949 B14R1.163 CC(CN)COC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,1,0|2,0,0]=4 5950 B14R1.163 CC(CO)CNC(C)c1ccccc1 269862a_100000744482_100000185851 [0,1,0,0,1,0|1,0,0]=3 5951 B14R1.163 CC(CO)CNC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,1,0|1,0,0]=3 5952 B14R1.163 CC(CO)CNC(C)c1ccccn1 269862a_100000744482_100000210467 [0,1,0,0,1,0|2,0,0]=4 5953 B14R1.163 CC(CO)CNC(C)c1cccnc1 269862a_100000744482_100000210468 [0,1,0,0,1,0|2,0,0]=4 5954 B14R1.163 CC(CO)CNC(C)c1ccncc1 269862a_100000744482_100000185792 [0,1,0,0,1,0|2,0,0]=4 5955 B14R1.163 CC(NCC(O)CO)c1ccccn1 2230a_100000181244_100011219619 [0,1,0,0,1,0|2,0,0]=4 5956 B14R1.163 CC(NCC(O)CO)c1cccnc1 2230a_100000195435_100011219619 [0,1,0,0,1,0|2,0,0]=4 5957 B14R1.163 CC(NCC(O)CO)c1ccncc1 2230a_100000181269_100011219619 [0,1,0,0,1,0|2,0,0]=4 5958 B14R1.163 CC(NC[C@@H](C)CO)c1ccccn1 2230a_100000181244_100000059175 [0,1,0,0,1,0|2,0,0]=4 5959 B14R1.163 CC(NC[C@@H](C)CO)c1cccnc1 2230a_100000195435_100000059175 [0,1,0,0,1,0|2,0,0]=4 5960 B14R1.163 CC(NC[C@@H](C)CO)c1ccncc1 2230a_100000181269_100000059175 [0,1,0,0,1,0|2,0,0]=4 5961 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 269862a_100015665980_100000185851 [0,1,0,0,1,0|1,0,0]=3 5962 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 34a_100015665980_100000211855 [0,1,0,0,1,0|1,0,0]=3 5963 B14R1.163 CC(NC[C@@H](F)CO)c1ccccn1 269862a_100015665980_100000210467 [0,1,0,0,1,0|2,0,0]=4 5964 B14R1.163 CC(NC[C@@H](F)CO)c1cccnc1 269862a_100015665980_100000210468 [0,1,0,0,1,0|2,0,0]=4 5965 B14R1.163 CC(NC[C@@H](F)CO)c1ccncc1 269862a_100015665980_100000185792 [0,1,0,0,1,0|2,0,0]=4 5966 B14R1.163 CC(NC[C@@H](O)CF)c1ccccn1 2230a_100000181244_100015614560 [0,1,0,0,1,0|1,1,0]=4 5967 B14R1.163 CC(NC[C@@H](O)CF)c1cccnc1 2230a_100000195435_100015614560 [0,1,0,0,1,0|1,1,0]=4 5968 B14R1.163 CC(NC[C@@H](O)CF)c1ccncc1 2230a_100000181269_100015614560 [0,1,0,0,1,0|1,1,0]=4 5969 B14R1.163 CC(NC[C@@H](O)CO)c1ccccn1 2230a_100000181244_100009815848 [0,1,0,0,1,0|2,0,0]=4 5970 B14R1.163 CC(NC[C@@H](O)CO)c1cccnc1 2230a_100000195435_100009815848 [0,1,0,0,1,0|2,0,0]=4 5971 B14R1.163 CC(NC[C@@H](O)CO)c1ccncc1 2230a_100000181269_100009815848 [0,1,0,0,1,0|2,0,0]=4 5972 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000230085 [0,1,0,0,1,0|1,0,0]=3 5973 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 269862a_100020644852_100000185851 [0,1,0,0,1,0|1,0,0]=3 5974 B14R1.163 CC(NC[C@H](O)CO)c1ccccn1 269862a_100020644852_100000210467 [0,1,0,0,1,0|2,0,0]=4 5975 B14R1.163 CC(NC[C@H](O)CO)c1cccnc1 269862a_100020644852_100000210468 [0,1,0,0,1,0|2,0,0]=4 5976 B14R1.163 CC(NC[C@H](O)CO)c1ccncc1 269862a_100020644852_100000185792 [0,1,0,0,1,0|2,0,0]=4 5977 B14R1.163 CC(OCC(Cl)CCl)c1ccccc1 34a_100000033668_100000211855 [0,1,0,0,1,0|1,0,0]=3 5978 B14R1.163 CC(OC[C@H](F)CN)c1ccccc1 34a_100015665980_100000211855 [0,1,0,0,1,0|2,0,0]=4 5979 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100000230085_100011219619 [0,1,0,0,1,0|2,0,0]=4 5980 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100011219619_100000230085 [0,1,0,0,1,0|2,0,0]=4 5981 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000230085 [0,1,0,0,1,0|2,0,0]=4 5982 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000230085_100000059175 [0,1,0,0,1,0|2,0,0]=4 5983 B14R1.163 CC(SC[C@@H](O)CF)c1ccccc1 62a_100000230085_100015614560 [0,1,0,0,1,0|1,1,0]=4 5984 B14R1.163 CC(SC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000230085 [0,1,0,0,1,0|1,1,0]=4 5985 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100000230085_100009815848 [0,1,0,0,1,0|2,0,0]=4 5986 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000230085 [0,1,0,0,1,0|2,0,0]=4 5987 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,1,0,0,1,0|1,0,0]=3 5988 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,1,0,0,1,0|1,0,0]=3 5989 B14R1.163 CCC(C)CNC(C)c1ccccn1 2230a_100000181244_100000748023 [0,1,0,0,1,0|2,0,0]=4 5990 B14R1.163 CCC(C)CNC(C)c1ccccn1 269862a_100020588543_100000210467 [0,1,0,0,1,0|2,0,0]=4 5991 B14R1.163 CCC(C)CNC(C)c1ccccn1 270004a_100000181244_100000243153 [0,1,0,0,1,0|2,0,0]=4 5992 B14R1.163 CCC(C)CNC(C)c1cccnc1 2230a_100000195435_100000748023 [0,1,0,0,1,0|2,0,0]=4 5993 B14R1.163 CCC(C)CNC(C)c1cccnc1 269862a_100020588543_100000210468 [0,1,0,0,1,0|2,0,0]=4 5994 B14R1.163 CCC(C)CNC(C)c1cccnc1 270004a_100000195435_100000243153 [0,1,0,0,1,0|2,0,0]=4 5995 B14R1.163 CCC(C)CNC(C)c1ccncc1 2230a_100000181269_100000748023 [0,1,0,0,1,0|2,0,0]=4 5996 B14R1.163 CCC(C)CNC(C)c1ccncc1 269862a_100020588543_100000185792 [0,1,0,0,1,0|2,0,0]=4 5997 B14R1.163 CCC(C)CNC(C)c1ccncc1 270004a_100000181269_100000243153 [0,1,0,0,1,0|2,0,0]=4 5998 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,1,0,0,1,0|1,0,0]=3 5999 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,1,0,0,1,0|1,0,0]=3 6000 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,1,0,0,1,0|2,0,0]=4 6001 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,1,0,0,1,0|2,0,0]=4 6002 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000230085_100000748023 [0,1,0,0,1,0|2,0,0]=4 6003 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000748023_100000230085 [0,1,0,0,1,0|2,0,0]=4 6004 B14R1.163 CCC(O)CNC(C)c1ccccc1 2230a_100011218483_100000230085 [0,1,0,0,1,0|1,0,0]=3 6005 B14R1.163 CCC(O)CNC(C)c1ccccc1 269862a_100011218483_100000185851 [0,1,0,0,1,0|1,0,0]=3 6006 B14R1.163 CCC(O)CNC(C)c1ccccn1 2230a_100000181244_100011218378 [0,1,0,0,1,0|2,0,0]=4 6007 B14R1.163 CCC(O)CNC(C)c1ccccn1 269862a_100011218483_100000210467 [0,1,0,0,1,0|2,0,0]=4 6008 B14R1.163 CCC(O)CNC(C)c1cccnc1 2230a_100000195435_100011218378 [0,1,0,0,1,0|2,0,0]=4 6009 B14R1.163 CCC(O)CNC(C)c1cccnc1 269862a_100011218483_100000210468 [0,1,0,0,1,0|2,0,0]=4 6010 B14R1.163 CCC(O)CNC(C)c1ccncc1 2230a_100000181269_100011218378 [0,1,0,0,1,0|2,0,0]=4 6011 B14R1.163 CCC(O)CNC(C)c1ccncc1 269862a_100011218483_100000185792 [0,1,0,0,1,0|2,0,0]=4 6012 B14R1.163 CCC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218378 [0,1,0,0,1,0|1,0,0]=3 6013 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [0,1,0,0,1,0|2,0,0]=4 6014 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [0,1,0,0,1,0|2,0,0]=4 6015 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100000230085_100011218378 [0,1,0,0,1,0|2,0,0]=4 6016 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100011218378_100000230085 [0,1,0,0,1,0|2,0,0]=4 6017 B14R1.163 CC[C@H](C)CNC(C)c1ccccn1 2230a_100000181244_100009816398 [0,1,0,0,1,0|2,0,0]=4 6018 B14R1.163 CC[C@H](C)CNC(C)c1cccnc1 2230a_100000195435_100009816398 [0,1,0,0,1,0|2,0,0]=4 6019 B14R1.163 CC[C@H](C)CNC(C)c1ccncc1 2230a_100000181269_100009816398 [0,1,0,0,1,0|2,0,0]=4 6020 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,1,0,0,1,0|1,0,0]=3 6021 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,1,0,0,1,0|2,0,0]=4 6022 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,1,0,0,1,0|2,0,0]=4 6023 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,1,0,0,1,0|2,0,0]=4 6024 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100000230085_100009816398 [0,1,0,0,1,0|2,0,0]=4 6025 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100009816398_100000230085 [0,1,0,0,1,0|2,0,0]=4 6026 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 2230a_100020591295_100000230085 [0,1,0,0,1,0|2,0,0]=4 6027 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 269862a_100020591295_100000185851 [0,1,0,0,1,0|2,0,0]=4 6028 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 2230a_100000751104_100000059175 [0,1,0,0,1,0|1,0,0]=3 6029 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [0,1,0,0,1,0|2,0,0]=4 6030 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [0,1,0,0,1,0|2,0,0]=4 6031 B14R1.163 C[C@@H](NCC(O)CO)c1ccccc1 2230a_100000751104_100011219619 [0,1,0,0,1,0|1,0,0]=3 6032 B14R1.163 C[C@@H](NC[C@@H](O)CF)c1ccccc1 2230a_100000751104_100015614560 [0,1,0,0,1,0|0,1,0]=3 6033 B14R1.163 C[C@@H](NC[C@@H](O)CO)c1ccccc1 2230a_100000751104_100009815848 [0,1,0,0,1,0|1,0,0]=3 6034 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 34a_100000761318_100011219619 [0,1,0,0,1,0|2,0,0]=4 6035 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 7a_100000761318_100011219619 [0,1,0,0,1,0|2,0,0]=4 6036 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 34a_100000761318_100015614560 [0,1,0,0,1,0|1,1,0]=4 6037 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 7a_100000761318_100015614560 [0,1,0,0,1,0|1,1,0]=4 6038 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 34a_100000761318_100009815848 [0,1,0,0,1,0|2,0,0]=4 6039 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 7a_100000761318_100009815848 [0,1,0,0,1,0|2,0,0]=4 6040 B14R1.420 C=C(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000730704 [0,1,0,0,1,0|1,0,1]=4 6041 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,1,0,0,1,0|1,1,0]=4 6042 B14R1.420 CC(C)CCNC(C)c1ccccc1 269862a_100000210545_100000185851 [0,1,0,0,1,0|1,0,0]=3 6043 B14R1.420 CC(C)CCNC(C)c1ccccn1 2230a_100000181244_100000210312 [0,1,0,0,1,0|2,0,0]=4 6044 B14R1.420 CC(C)CCNC(C)c1ccccn1 269862a_100000181244_100000185833 [0,1,0,0,1,0|2,0,0]=4 6045 B14R1.420 CC(C)CCNC(C)c1ccccn1 269862a_100000210545_100000210467 [0,1,0,0,1,0|2,0,0]=4 6046 B14R1.420 CC(C)CCNC(C)c1cccnc1 2230a_100000195435_100000210312 [0,1,0,0,1,0|2,0,0]=4 6047 B14R1.420 CC(C)CCNC(C)c1cccnc1 269862a_100000195435_100000185833 [0,1,0,0,1,0|2,0,0]=4 6048 B14R1.420 CC(C)CCNC(C)c1cccnc1 269862a_100000210545_100000210468 [0,1,0,0,1,0|2,0,0]=4 6049 B14R1.420 CC(C)CCNC(C)c1ccncc1 2230a_100000181269_100000210312 [0,1,0,0,1,0|2,0,0]=4 6050 B14R1.420 CC(C)CCNC(C)c1ccncc1 269862a_100000181269_100000185833 [0,1,0,0,1,0|2,0,0]=4 6051 B14R1.420 CC(C)CCNC(C)c1ccncc1 269862a_100000210545_100000185792 [0,1,0,0,1,0|2,0,0]=4 6052 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210312 [0,1,0,0,1,0|1,0,0]=3 6053 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 269862a_100000751104_100000185833 [0,1,0,0,1,0|1,0,0]=3 6054 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,1,0,0,1,0|2,0,0]=4 6055 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,1,0,0,1,0|2,0,0]=4 6056 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,1,0,0,1,0|2,0,0]=4 6057 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,1,0,0,1,0|2,0,0]=4 6058 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000210312_100000230085 [0,1,0,0,1,0|2,0,0]=4 6059 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000230085_100000210312 [0,1,0,0,1,0|2,0,0]=4 6060 B14R1.420 CC(C)OCN[C@H](C)c1ccccc1 2230a_100000751104_100000709892 [0,1,0,0,1,0|2,0,0]=4 6061 B14R1.420 CC(COC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000756946 [0,1,0,0,1,0|2,0,0]=4 6062 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,1,0,0,1,0|1,0,1]=4 6063 B14R1.420 CC(NCCN(C)C)c1ccccc1 269862a_100000210585_100000185851 [0,1,0,0,1,0|2,0,0]=4 6064 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,1,0,0,1,0|1,0,0]=3 6065 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,1,0,0,1,0|1,0,0]=3 6066 B14R1.420 CC(O)CCNC(C)c1ccccn1 2230a_100000181244_100012276601 [0,1,0,0,1,0|2,0,0]=4 6067 B14R1.420 CC(O)CCNC(C)c1ccccn1 269862a_200000755665_100000210467 [0,1,0,0,1,0|2,0,0]=4 6068 B14R1.420 CC(O)CCNC(C)c1cccnc1 2230a_100000195435_100012276601 [0,1,0,0,1,0|2,0,0]=4 6069 B14R1.420 CC(O)CCNC(C)c1cccnc1 269862a_200000755665_100000210468 [0,1,0,0,1,0|2,0,0]=4 6070 B14R1.420 CC(O)CCNC(C)c1ccncc1 2230a_100000181269_100012276601 [0,1,0,0,1,0|2,0,0]=4 6071 B14R1.420 CC(O)CCNC(C)c1ccncc1 269862a_200000755665_100000185792 [0,1,0,0,1,0|2,0,0]=4 6072 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,1,0,0,1,0|1,0,0]=3 6073 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,1,0,0,1,0|2,0,0]=4 6074 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,1,0,0,1,0|2,0,0]=4 6075 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [0,1,0,0,1,0|2,0,0]=4 6076 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [0,1,0,0,1,0|2,0,0]=4 6077 B14R1.420 CC(OCCC(F)F)c1ccccc1 34a_100103093639_100000211855 [0,1,0,0,1,0|1,1,0]=4 6078 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,1,0,0,1,0|2,0,0]=4 6079 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,1,0,0,1,0|1,0,1]=4 6080 B14R1.1035 C#CCCNC(C)c1ccccc1Br 2230a_100000181357_100000688953 [0,1,0,0,1,0|1,0,1]=4 6081 B14R1.1035 C#CCCNC(C)c1ccccc1C 2230a_100000181355_100000688953 [0,1,0,0,1,0|1,0,1]=4 6082 B14R1.1035 C#CCCNC(C)c1ccccc1C 34a_100000181355_100000688953 [0,1,0,0,1,0|1,0,1]=4 6083 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000688953 [0,1,0,0,1,0|1,0,1]=4 6084 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 34a_100000174978_100000688953 [0,1,0,0,1,0|1,0,1]=4 6085 B14R1.1035 C#CCCNC(C)c1ccccc1F 2230a_100000181408_100000688953 [0,1,0,0,1,0|1,0,1]=4 6086 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000181408_100000688953 [0,1,0,0,1,0|1,0,1]=4 6087 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000755551_200000741388 [0,1,0,0,1,0|1,0,1]=4 6088 B14R1.1035 C#CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000688953 [0,1,0,0,1,0|1,0,1]=4 6089 B14R1.1035 C=CCCNC(C)c1ccccc1Br 2230a_100000181357_100000754431 [0,1,0,0,1,0|1,0,1]=4 6090 B14R1.1035 C=CCCNC(C)c1ccccc1Br 269862a_100015191253_100000187085 [0,1,0,0,1,0|1,0,1]=4 6091 B14R1.1035 C=CCCNC(C)c1ccccc1C 2230a_100000181355_100000754431 [0,1,0,0,1,0|1,0,1]=4 6092 B14R1.1035 C=CCCNC(C)c1ccccc1C 269862a_100015191253_100000211656 [0,1,0,0,1,0|1,0,1]=4 6093 B14R1.1035 C=CCCNC(C)c1ccccc1C 34a_100000181355_100000754431 [0,1,0,0,1,0|1,0,1]=4 6094 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000754431 [0,1,0,0,1,0|1,0,1]=4 6095 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 2230a_100015191253_100000181259 [0,1,0,0,1,0|1,0,1]=4 6096 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 269862a_100015191253_100000210134 [0,1,0,0,1,0|1,0,1]=4 6097 B14R1.1035 C=CCCNC(C)c1ccccc1Cl 34a_100000174978_100000754431 [0,1,0,0,1,0|1,0,1]=4 6098 B14R1.1035 C=CCCNC(C)c1ccccc1F 2230a_100000181408_100000754431 [0,1,0,0,1,0|1,0,1]=4 6099 B14R1.1035 C=CCCNC(C)c1ccccc1F 2230a_100015191253_200000741388 [0,1,0,0,1,0|1,0,1]=4 6100 B14R1.1035 C=CCCNC(C)c1ccccc1F 269862a_100015191253_100000210632 [0,1,0,0,1,0|1,0,1]=4 6101 B14R1.1035 C=CCCNC(C)c1ccccc1F 34a_100000181408_100000754431 [0,1,0,0,1,0|1,0,1]=4 6102 B14R1.1035 C=CCCNC(C)c1ccccc1I 269862a_100015191253_100000751169 [0,1,0,0,1,0|1,0,1]=4 6103 B14R1.1035 C=CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000754431 [0,1,0,0,1,0|1,0,1]=4 6104 B14R1.1035 CC(NCCC#N)c1ccccc1Br 2230a_100000181357_100011215226 [0,1,0,0,1,0|1,0,1]=4 6105 B14R1.1035 CC(NCCC#N)c1ccccc1Cl 2230a_100000174978_100011215226 [0,1,0,0,1,0|1,0,1]=4 6106 B14R1.1035 CC(NCCC#N)c1ccccc1F 2230a_100000181408_100011215226 [0,1,0,0,1,0|1,0,1]=4 6107 B14R1.1035 CC(NCCCF)c1ccccc1Br 2230a_100000181357_100011934791 [0,1,0,0,1,0|0,1,0]=3 6108 B14R1.1035 CC(NCCCF)c1ccccc1Br 269862a_100015189416_100000187085 [0,1,0,0,1,0|0,1,0]=3 6109 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100000174978_100011934791 [0,1,0,0,1,0|0,1,0]=3 6110 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100015189416_100000181259 [0,1,0,0,1,0|0,1,0]=3 6111 B14R1.1035 CC(NCCCF)c1ccccc1Cl 269862a_100015189416_100000210134 [0,1,0,0,1,0|0,1,0]=3 6112 B14R1.1035 CC(NCCCF)c1ccccc1Cl 34a_100000174978_100011934791 [0,1,0,0,1,0|0,1,0]=3 6113 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100000181408_100011934791 [0,1,0,0,1,0|0,1,0]=3 6114 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100015189416_200000741388 [0,1,0,0,1,0|0,1,0]=3 6115 B14R1.1035 CC(NCCCF)c1ccccc1F 269862a_100015189416_100000210632 [0,1,0,0,1,0|0,1,0]=3 6116 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100000181408_100011934791 [0,1,0,0,1,0|0,1,0]=3 6117 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100015189416_200000741388 [0,1,0,0,1,0|0,1,0]=3 6118 B14R1.1035 CC(NCCCF)c1ccccc1I 269862a_100015189416_100000751169 [0,1,0,0,1,0|0,1,0]=3 6119 B14R1.1035 CC(NCCCF)c1cccnc1O 2230a_100159269580_100011934791 [0,1,0,0,1,0|1,1,0]=4 6120 B14R1.1035 CC(NCCCF)c1ccncc1Br 269862a_100015189416_100009993184 [0,1,0,0,1,0|1,1,0]=4 6121 B14R1.1035 CC(NCCCF)c1ccncc1Cl 269862a_100015189416_100012001414 [0,1,0,0,1,0|1,1,0]=4 6122 B14R1.1035 CC(NCCCF)c1ccncc1F 269862a_100015189416_100000727669 [0,1,0,0,1,0|1,1,0]=4 6123 B14R1.1035 CC(NCCCF)c1cnccc1Cl 269862a_100015189416_100160469449 [0,1,0,0,1,0|1,1,0]=4 6124 B14R1.1035 CC(NCCCF)c1ncccc1Br 2230a_100159271932_100011934791 [0,1,0,0,1,0|1,1,0]=4 6125 B14R1.1035 CC(NCCCF)c1ncccc1Br 269862a_100015189416_100012348690 [0,1,0,0,1,0|1,1,0]=4 6126 B14R1.1035 CC(NCCCF)c1ncccc1Cl 269862a_100015189416_100015267551 [0,1,0,0,1,0|1,1,0]=4 6127 B14R1.1035 CC(NCCCF)c1ncccc1F 269862a_100015189416_100011997767 [0,1,0,0,1,0|1,1,0]=4 6128 B14R1.1035 CC(NCCCF)c1ncccc1I 269862a_100015189416_200015599370 [0,1,0,0,1,0|1,1,0]=4 6129 B14R1.1035 CC(NCCCO)c1ccccc1Br 2230a_100000181357_100000230001 [0,1,0,0,1,0|1,0,0]=3 6130 B14R1.1035 CC(NCCCO)c1ccccc1Br 269862a_100000182051_100000187085 [0,1,0,0,1,0|1,0,0]=3 6131 B14R1.1035 CC(NCCCO)c1ccccc1Cl 2230a_100000174978_100000230001 [0,1,0,0,1,0|1,0,0]=3 6132 B14R1.1035 CC(NCCCO)c1ccccc1Cl 269862a_100000182051_100000210134 [0,1,0,0,1,0|1,0,0]=3 6133 B14R1.1035 CC(NCCCO)c1ccccc1Cl 34a_100000174978_100000230001 [0,1,0,0,1,0|1,0,0]=3 6134 B14R1.1035 CC(NCCCO)c1ccccc1F 2230a_100000181408_100000230001 [0,1,0,0,1,0|1,0,0]=3 6135 B14R1.1035 CC(NCCCO)c1ccccc1F 269862a_100000182051_100000210632 [0,1,0,0,1,0|1,0,0]=3 6136 B14R1.1035 CC(NCCCO)c1ccccc1F 34a_100000181408_100000230001 [0,1,0,0,1,0|1,0,0]=3 6137 B14R1.1035 CC(NCCCO)c1ccccc1I 269862a_100000182051_100000751169 [0,1,0,0,1,0|1,0,0]=3 6138 B14R1.1035 CC(NCCCO)c1cccnc1O 2230a_100159269580_100000230001 [0,1,0,0,1,0|2,0,0]=4 6139 B14R1.1035 CC(NCCCO)c1ccncc1Br 269862a_100000182051_100009993184 [0,1,0,0,1,0|2,0,0]=4 6140 B14R1.1035 CC(NCCCO)c1ccncc1Cl 269862a_100000182051_100012001414 [0,1,0,0,1,0|2,0,0]=4 6141 B14R1.1035 CC(NCCCO)c1ccncc1F 269862a_100000182051_100000727669 [0,1,0,0,1,0|2,0,0]=4 6142 B14R1.1035 CC(NCCCO)c1cnccc1Cl 269862a_100000182051_100160469449 [0,1,0,0,1,0|2,0,0]=4 6143 B14R1.1035 CC(NCCCO)c1ncccc1Br 2230a_100159271932_100000230001 [0,1,0,0,1,0|2,0,0]=4 6144 B14R1.1035 CC(NCCCO)c1ncccc1Br 269862a_100000182051_100012348690 [0,1,0,0,1,0|2,0,0]=4 6145 B14R1.1035 CC(NCCCO)c1ncccc1Cl 269862a_100000182051_100015267551 [0,1,0,0,1,0|2,0,0]=4 6146 B14R1.1035 CC(NCCCO)c1ncccc1F 269862a_100000182051_100011997767 [0,1,0,0,1,0|2,0,0]=4 6147 B14R1.1035 CC(NCCCO)c1ncccc1I 269862a_100000182051_200015599370 [0,1,0,0,1,0|2,0,0]=4 6148 B14R1.1035 CC(OCCCBr)c1ccccc1F 34a_100011217188_200000741388 [0,1,0,0,1,0|1,1,0]=4 6149 B14R1.1035 CC(OCCCCl)c1ccccc1F 34a_100000230001_200000741388 [0,1,0,0,1,0|1,0,0]=3 6150 B14R1.1035 CC(OCCCF)c1ccccc1Br 34a_100000702211_100011934791 [0,1,0,0,1,0|1,1,0]=4 6151 B14R1.1035 CC(OCCCF)c1ccccc1Br 7a_100000702211_100011934791 [0,1,0,0,1,0|1,1,0]=4 6152 B14R1.1035 CC(OCCCF)c1ccccc1Cl 34a_100000740796_100011934791 [0,1,0,0,1,0|1,1,0]=4 6153 B14R1.1035 CC(OCCCF)c1ccccc1Cl 7a_100000740796_100011934791 [0,1,0,0,1,0|1,1,0]=4 6154 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000697922_100011934791 [0,1,0,0,1,0|1,1,0]=4 6155 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000759539_200000741388 [0,1,0,0,1,0|1,1,0]=4 6156 B14R1.1035 CC(OCCCF)c1ccccc1F 7a_100000697922_100011934791 [0,1,0,0,1,0|1,1,0]=4 6157 B14R1.1035 CC(OCCCF)c1ccccc1N 7a_100011405641_100011934791 [0,1,0,0,1,0|1,1,0]=4 6158 B14R1.1035 CC(OCCCN)c1ccccc1F 34a_100000182051_200000741388 [0,1,0,0,1,0|2,0,0]=4 6159 B14R1.1035 CC(OCCCO)c1ccccc1Br 34a_100000702211_100000230001 [0,1,0,0,1,0|2,0,0]=4 6160 B14R1.1035 CC(OCCCO)c1ccccc1Br 7a_100000702211_100011215043 [0,1,0,0,1,0|2,0,0]=4 6161 B14R1.1035 CC(OCCCO)c1ccccc1Cl 34a_100000740796_100000230001 [0,1,0,0,1,0|2,0,0]=4 6162 B14R1.1035 CC(OCCCO)c1ccccc1Cl 7a_100000740796_100011215043 [0,1,0,0,1,0|2,0,0]=4 6163 B14R1.1035 CC(OCCCO)c1ccccc1F 34a_100000697922_100000230001 [0,1,0,0,1,0|2,0,0]=4 6164 B14R1.1035 CC(OCCCO)c1ccccc1F 7a_100000697922_100011215043 [0,1,0,0,1,0|2,0,0]=4 6165 B14R1.1035 CC(OCCCO)c1ccccc1N 7a_100011405641_100011215043 [0,1,0,0,1,0|2,0,0]=4 6166 B14R1.1035 CC(SCCCF)c1ccccc1Cl 62a_100000181259_100011934791 [0,1,0,0,1,0|1,1,0]=4 6167 B14R1.1035 CC(SCCCF)c1ccccc1Cl 62a_100011934791_100000181259 [0,1,0,0,1,0|1,1,0]=4 6168 B14R1.1035 CC(SCCCF)c1ccccc1F 62a_100011934791_200000741388 [0,1,0,0,1,0|1,1,0]=4 6169 B14R1.1035 CC(SCCCF)c1ccccc1F 62a_200000741388_100011934791 [0,1,0,0,1,0|1,1,0]=4 6170 B14R1.1035 CC(SCCCO)c1ccccc1Cl 62a_100000181259_100011215043 [0,1,0,0,1,0|2,0,0]=4 6171 B14R1.1035 CC(SCCCO)c1ccccc1Cl 62a_100011215043_100000181259 [0,1,0,0,1,0|2,0,0]=4 6172 B14R1.1035 CC(SCCCO)c1ccccc1F 62a_100011215043_200000741388 [0,1,0,0,1,0|2,0,0]=4 6173 B14R1.1035 CC(SCCCO)c1ccccc1F 62a_200000741388_100011215043 [0,1,0,0,1,0|2,0,0]=4 6174 B14R1.1035 CCCCNC(C)c1ccccc1Br 2230a_100000181357_100000210211 [0,1,0,0,1,0|1,0,0]=3 6175 B14R1.1035 CCCCNC(C)c1ccccc1Br 269862a_100000102301_100000187085 [0,1,0,0,1,0|1,0,0]=3 6176 B14R1.1035 CCCCNC(C)c1ccccc1C 2230a_100000181355_100000210211 [0,1,0,0,1,0|1,0,0]=3 6177 B14R1.1035 CCCCNC(C)c1ccccc1C 269862a_100000102301_100000211656 [0,1,0,0,1,0|1,0,0]=3 6178 B14R1.1035 CCCCNC(C)c1ccccc1C 34a_100000181355_100000210210 [0,1,0,0,1,0|1,0,0]=3 6179 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000102301_100000181259 [0,1,0,0,1,0|1,0,0]=3 6180 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210211 [0,1,0,0,1,0|1,0,0]=3 6181 B14R1.1035 CCCCNC(C)c1ccccc1Cl 269862a_100000102301_100000210134 [0,1,0,0,1,0|1,0,0]=3 6182 B14R1.1035 CCCCNC(C)c1ccccc1Cl 34a_100000174978_100000210210 [0,1,0,0,1,0|1,0,0]=3 6183 B14R1.1035 CCCCNC(C)c1ccccc1Cl 7a_106832991798_100000181259 [0,1,0,0,1,0|1,0,0]=3 6184 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000102301_200000741388 [0,1,0,0,1,0|1,0,0]=3 6185 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000181408_100000210211 [0,1,0,0,1,0|1,0,0]=3 6186 B14R1.1035 CCCCNC(C)c1ccccc1F 269862a_100000102301_100000210632 [0,1,0,0,1,0|1,0,0]=3 6187 B14R1.1035 CCCCNC(C)c1ccccc1F 34a_100000181408_100000210210 [0,1,0,0,1,0|1,0,0]=3 6188 B14R1.1035 CCCCNC(C)c1ccccc1F 7a_106832991798_200000741388 [0,1,0,0,1,0|1,0,0]=3 6189 B14R1.1035 CCCCNC(C)c1ccccc1I 269862a_100000102301_100000751169 [0,1,0,0,1,0|1,0,0]=3 6190 B14R1.1035 CCCCNC(C)c1cccnc1C 269862a_100000102301_100011995960 [0,1,0,0,1,0|2,0,0]=4 6191 B14R1.1035 CCCCNC(C)c1cccnc1O 2230a_100159269580_100000210211 [0,1,0,0,1,0|2,0,0]=4 6192 B14R1.1035 CCCCNC(C)c1ccncc1Br 269862a_100000102301_100009993184 [0,1,0,0,1,0|2,0,0]=4 6193 B14R1.1035 CCCCNC(C)c1ccncc1Cl 269862a_100000102301_100012001414 [0,1,0,0,1,0|2,0,0]=4 6194 B14R1.1035 CCCCNC(C)c1ccncc1F 269862a_100000102301_100000727669 [0,1,0,0,1,0|2,0,0]=4 6195 B14R1.1035 CCCCNC(C)c1cnccc1C 269862a_100000102301_100000693228 [0,1,0,0,1,0|2,0,0]=4 6196 B14R1.1035 CCCCNC(C)c1cnccc1Cl 269862a_100000102301_100160469449 [0,1,0,0,1,0|2,0,0]=4 6197 B14R1.1035 CCCCNC(C)c1ncccc1Br 2230a_100159271932_100000210211 [0,1,0,0,1,0|2,0,0]=4 6198 B14R1.1035 CCCCNC(C)c1ncccc1Br 269862a_100000102301_100012348690 [0,1,0,0,1,0|2,0,0]=4 6199 B14R1.1035 CCCCNC(C)c1ncccc1C 2230a_100011536111_100000210211 [0,1,0,0,1,0|2,0,0]=4 6200 B14R1.1035 CCCCNC(C)c1ncccc1C 269862a_100000102301_100011536074 [0,1,0,0,1,0|2,0,0]=4 6201 B14R1.1035 CCCCNC(C)c1ncccc1Cl 269862a_100000102301_100015267551 [0,1,0,0,1,0|2,0,0]=4 6202 B14R1.1035 CCCCNC(C)c1ncccc1F 269862a_100000102301_100011997767 [0,1,0,0,1,0|2,0,0]=4 6203 B14R1.1035 CCCCNC(C)c1ncccc1I 269862a_100000102301_200015599370 [0,1,0,0,1,0|2,0,0]=4 6204 B14R1.1035 CCCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210211 [0,1,0,0,1,0|1,0,0]=3 6205 B14R1.1035 CCCCOC(C)c1ccccc1Br 34a_100000702211_100000210210 [0,1,0,0,1,0|2,0,0]=4 6206 B14R1.1035 CCCCOC(C)c1ccccc1Br 7a_100000702211_100000210211 [0,1,0,0,1,0|2,0,0]=4 6207 B14R1.1035 CCCCOC(C)c1ccccc1C 34a_100000742021_100000210210 [0,1,0,0,1,0|2,0,0]=4 6208 B14R1.1035 CCCCOC(C)c1ccccc1C 7a_100000742021_100000210211 [0,1,0,0,1,0|2,0,0]=4 6209 B14R1.1035 CCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210210 [0,1,0,0,1,0|2,0,0]=4 6210 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000210227_100000181259 [0,1,0,0,1,0|2,0,0]=4 6211 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210211 [0,1,0,0,1,0|2,0,0]=4 6212 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000210227_200000741388 [0,1,0,0,1,0|2,0,0]=4 6213 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000697922_100000210210 [0,1,0,0,1,0|2,0,0]=4 6214 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000210227_200000741388 [0,1,0,0,1,0|2,0,0]=4 6215 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000697922_100000210211 [0,1,0,0,1,0|2,0,0]=4 6216 B14R1.1035 CCCCOC(C)c1ccccc1N 7a_100011405641_100000210211 [0,1,0,0,1,0|2,0,0]=4 6217 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000181259_100000210210 [0,1,0,0,1,0|2,0,0]=4 6218 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000210211_100000181259 [0,1,0,0,1,0|2,0,0]=4 6219 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_100000210211_200000741388 [0,1,0,0,1,0|2,0,0]=4 6220 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_200000741388_100000210210 [0,1,0,0,1,0|2,0,0]=4 6221 B14R1.1035 COCCNC(C)c1ccccc1Br 2230a_100000181357_100011201679 [0,1,0,0,1,0|2,0,0]=4 6222 B14R1.1035 COCCNC(C)c1ccccc1Br 269862a_100000209980_100000187085 [0,1,0,0,1,0|2,0,0]=4 6223 B14R1.1035 COCCNC(C)c1ccccc1C 2230a_100000181355_100011201679 [0,1,0,0,1,0|2,0,0]=4 6224 B14R1.1035 COCCNC(C)c1ccccc1C 269862a_100000209980_100000211656 [0,1,0,0,1,0|2,0,0]=4 6225 B14R1.1035 COCCNC(C)c1ccccc1C 34a_100000181355_100011201679 [0,1,0,0,1,0|2,0,0]=4 6226 B14R1.1035 COCCNC(C)c1ccccc1Cl 2230a_100000174978_100011201679 [0,1,0,0,1,0|2,0,0]=4 6227 B14R1.1035 COCCNC(C)c1ccccc1Cl 2230a_100000209980_100000181259 [0,1,0,0,1,0|2,0,0]=4 6228 B14R1.1035 COCCNC(C)c1ccccc1Cl 269862a_100000209980_100000210134 [0,1,0,0,1,0|2,0,0]=4 6229 B14R1.1035 COCCNC(C)c1ccccc1Cl 34a_100000174978_100011201679 [0,1,0,0,1,0|2,0,0]=4 6230 B14R1.1035 COCCNC(C)c1ccccc1F 2230a_100000181408_100011201679 [0,1,0,0,1,0|2,0,0]=4 6231 B14R1.1035 COCCNC(C)c1ccccc1F 2230a_100000209980_200000741388 [0,1,0,0,1,0|2,0,0]=4 6232 B14R1.1035 COCCNC(C)c1ccccc1F 269862a_100000209980_100000210632 [0,1,0,0,1,0|2,0,0]=4 6233 B14R1.1035 COCCNC(C)c1ccccc1F 34a_100000181408_100011201679 [0,1,0,0,1,0|2,0,0]=4 6234 B14R1.1035 COCCNC(C)c1ccccc1I 269862a_100000209980_100000751169 [0,1,0,0,1,0|2,0,0]=4 6235 B14R1.1035 COCCN[C@H](C)c1ccccc1O 2230a_100025703389_100011201679 [0,1,0,0,1,0|2,0,0]=4 6236 B14R1.1035 CSCCNC(C)c1ccccc1Br 2230a_100000181357_100000751147 [0,1,0,0,1,0|2,0,0]=4 6237 B14R1.1035 CSCCNC(C)c1ccccc1Br 269862a_100020590264_100000187085 [0,1,0,0,1,0|2,0,0]=4 6238 B14R1.1035 CSCCNC(C)c1ccccc1C 2230a_100000181355_100000751147 [0,1,0,0,1,0|2,0,0]=4 6239 B14R1.1035 CSCCNC(C)c1ccccc1C 269862a_100020590264_100000211656 [0,1,0,0,1,0|2,0,0]=4 6240 B14R1.1035 CSCCNC(C)c1ccccc1C 34a_100000181355_100000212216 [0,1,0,0,1,0|2,0,0]=4 6241 B14R1.1035 CSCCNC(C)c1ccccc1Cl 2230a_100000174978_100000751147 [0,1,0,0,1,0|2,0,0]=4 6242 B14R1.1035 CSCCNC(C)c1ccccc1Cl 2230a_100020590264_100000181259 [0,1,0,0,1,0|2,0,0]=4 6243 B14R1.1035 CSCCNC(C)c1ccccc1Cl 269862a_100020590264_100000210134 [0,1,0,0,1,0|2,0,0]=4 6244 B14R1.1035 CSCCNC(C)c1ccccc1Cl 34a_100000174978_100000212216 [0,1,0,0,1,0|2,0,0]=4 6245 B14R1.1035 CSCCNC(C)c1ccccc1F 2230a_100000181408_100000751147 [0,1,0,0,1,0|2,0,0]=4 6246 B14R1.1035 CSCCNC(C)c1ccccc1F 2230a_100020590264_200000741388 [0,1,0,0,1,0|2,0,0]=4 6247 B14R1.1035 CSCCNC(C)c1ccccc1F 269862a_100020590264_100000210632 [0,1,0,0,1,0|2,0,0]=4 6248 B14R1.1035 CSCCNC(C)c1ccccc1F 34a_100000181408_100000212216 [0,1,0,0,1,0|2,0,0]=4 6249 B14R1.1035 CSCCNC(C)c1ccccc1I 269862a_100020590264_100000751169 [0,1,0,0,1,0|2,0,0]=4 6250 B14R1.1035 CSCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000751147 [0,1,0,0,1,0|2,0,0]=4 6251 B14R1.1035 C[C@@H](NCCC#N)c1ccccc1O 2230a_100025703389_100011215226 [0,1,0,0,1,0|1,0,1]=4 6252 B14R1.1035 C[C@@H](NCCCF)c1ccccc1O 2230a_100025703389_100011934791 [0,1,0,0,1,0|0,1,0]=3 6253 B14R1.1035 C[C@@H](NCCCO)c1ccccc1O 2230a_100025703389_100000230001 [0,1,0,0,1,0|1,0,0]=3 6254 B14R1.1035 Cc1ccccc1C(C)NCCC#N 2230a_100000181355_100011215226 [0,1,0,0,1,0|1,0,1]=4 6255 B14R1.1035 Cc1ccccc1C(C)NCCCF 2230a_100000181355_100011934791 [0,1,0,0,1,0|0,1,0]=3 6256 B14R1.1035 Cc1ccccc1C(C)NCCCF 269862a_100015189416_100000211656 [0,1,0,0,1,0|0,1,0]=3 6257 B14R1.1035 Cc1ccccc1C(C)NCCCF 34a_100000181355_100011934791 [0,1,0,0,1,0|0,1,0]=3 6258 B14R1.1035 Cc1ccccc1C(C)NCCCO 2230a_100000181355_100000230001 [0,1,0,0,1,0|1,0,0]=3 6259 B14R1.1035 Cc1ccccc1C(C)NCCCO 269862a_100000182051_100000211656 [0,1,0,0,1,0|1,0,0]=3 6260 B14R1.1035 Cc1ccccc1C(C)NCCCO 34a_100000181355_100000230001 [0,1,0,0,1,0|1,0,0]=3 6261 B14R1.1035 Cc1ccccc1C(C)OCCCF 34a_100000742021_100011934791 [0,1,0,0,1,0|1,1,0]=4 6262 B14R1.1035 Cc1ccccc1C(C)OCCCF 7a_100000742021_100011934791 [0,1,0,0,1,0|1,1,0]=4 6263 B14R1.1035 Cc1ccccc1C(C)OCCCO 34a_100000742021_100000230001 [0,1,0,0,1,0|2,0,0]=4 6264 B14R1.1035 Cc1ccccc1C(C)OCCCO 7a_100000742021_100011215043 [0,1,0,0,1,0|2,0,0]=4 6265 B14R1.1035 Cc1cccnc1C(C)NCCCF 2230a_100011536111_100011934791 [0,1,0,0,1,0|1,1,0]=4 6266 B14R1.1035 Cc1cccnc1C(C)NCCCF 269862a_100015189416_100011536074 [0,1,0,0,1,0|1,1,0]=4 6267 B14R1.1035 Cc1cccnc1C(C)NCCCO 2230a_100011536111_100000230001 [0,1,0,0,1,0|2,0,0]=4 6268 B14R1.1035 Cc1cccnc1C(C)NCCCO 269862a_100000182051_100011536074 [0,1,0,0,1,0|2,0,0]=4 6269 B14R1.1035 Cc1ccncc1C(C)NCCCF 269862a_100015189416_100000693228 [0,1,0,0,1,0|1,1,0]=4 6270 B14R1.1035 Cc1ccncc1C(C)NCCCO 269862a_100000182051_100000693228 [0,1,0,0,1,0|2,0,0]=4 6271 B14R1.1035 Cc1ncccc1C(C)NCCCF 269862a_100015189416_100011995960 [0,1,0,0,1,0|1,1,0]=4 6272 B14R1.1035 Cc1ncccc1C(C)NCCCO 269862a_100000182051_100011995960 [0,1,0,0,1,0|2,0,0]=4 6273 B14R1.92 C#CCCCNC(C)Cc1ccco1 270004a_100000718082_100011216958 [0,1,0,0,1,0|2,0,0]=4 6274 B14R1.92 C#CCCCNC(C)Cc1cccs1 2230a_100000751415_100000731252 [0,1,0,0,1,0|2,0,0]=4 6275 B14R1.92 C#CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000731252 [0,1,0,0,1,0|2,0,0]=4 6276 B14R1.92 C#CCCCNC(C)Cc1ccsc1 34a_100000743546_100000695029 [0,1,0,0,1,0|2,0,0]=4 6277 B14R1.92 C=CCCCNC(C)Cc1ccco1 270004a_100000700776_100011216958 [0,1,0,0,1,0|2,0,0]=4 6278 B14R1.92 C=CCCCNC(C)Cc1cccs1 2230a_100000751415_100011713584 [0,1,0,0,1,0|2,0,0]=4 6279 B14R1.92 C=CCCCNC(C)Cc1ccsc1 2230a_100000743546_100011713584 [0,1,0,0,1,0|2,0,0]=4 6280 B14R1.92 C=CCCCNC(C)Cc1ccsc1 34a_100000743546_100000757094 [0,1,0,0,1,0|2,0,0]=4 6281 B14R1.92 CC(Cc1ccco1)NCCCCO 270004a_100000750430_100011216958 [0,1,0,0,1,0|2,0,0]=4 6282 B14R1.92 CC(Cc1cccs1)NCCCC#N 2230a_100000751415_100000687738 [0,1,0,0,1,0|2,0,0]=4 6283 B14R1.92 CC(Cc1cccs1)NCCCC=O 2230a_100000751415_200011292268 [0,1,0,0,1,0|2,0,0]=4 6284 B14R1.92 CC(Cc1cccs1)NCCCCF 2230a_100000751415_100000729493 [0,1,0,0,1,0|1,1,0]=4 6285 B14R1.92 CC(Cc1cccs1)NCCCCO 2230a_100000751415_100000210776 [0,1,0,0,1,0|2,0,0]=4 6286 B14R1.92 CC(Cc1ccsc1)NCCCC#N 2230a_100000743546_100000687738 [0,1,0,0,1,0|2,0,0]=4 6287 B14R1.92 CC(Cc1ccsc1)NCCCC=O 2230a_100000743546_200011292268 [0,1,0,0,1,0|2,0,0]=4 6288 B14R1.92 CC(Cc1ccsc1)NCCCCF 2230a_100000743546_100000729493 [0,1,0,0,1,0|1,1,0]=4 6289 B14R1.92 CC(Cc1ccsc1)NCCCCF 34a_100000743546_100000729493 [0,1,0,0,1,0|1,1,0]=4 6290 B14R1.92 CC(Cc1ccsc1)NCCCCO 2230a_100000743546_100000210776 [0,1,0,0,1,0|2,0,0]=4 6291 B14R1.92 CC(Cc1ccsc1)NCCCCO 34a_100000743546_100011216708 [0,1,0,0,1,0|2,0,0]=4 6292 B14R1.92 CCCCCNC(C)Cc1ccco1 270004a_100000209983_100011216958 [0,1,0,0,1,0|2,0,0]=4 6293 B14R1.92 CCCCCNC(C)Cc1cccs1 2230a_100000751415_100000210326 [0,1,0,0,1,0|2,0,0]=4 6294 B14R1.92 CCCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210326 [0,1,0,0,1,0|2,0,0]=4 6295 B14R1.92 CCCCCNC(C)Cc1ccsc1 34a_100000743546_100000718602 [0,1,0,0,1,0|2,0,0]=4 6296 B14R1.92 CCOCCNC(C)Cc1ccco1 270004a_102516460346_100011216958 [0,1,0,0,1,0|2,0,0]=4 6297 B14R1.92 CCOCCNC(C)Cc1cccs1 2230a_100000751415_100011215890 [0,1,0,0,1,0|2,0,0]=4 6298 B14R1.92 CCOCCNC(C)Cc1ccsc1 2230a_100000743546_100011215890 [0,1,0,0,1,0|2,0,0]=4 6299 B14R1.92 CCOCCNC(C)Cc1ccsc1 34a_100000743546_100000210147 [0,1,0,0,1,0|2,0,0]=4 6300 B14R1.92 CCSCCNC(C)Cc1ccco1 270004a_100000106463_100011216958 [0,1,0,0,1,0|2,0,0]=4 6301 B14R1.92 CCSCCNC(C)Cc1cccs1 2230a_100000751415_100000757381 [0,1,0,0,1,0|2,0,0]=4 6302 B14R1.92 CCSCCNC(C)Cc1ccsc1 2230a_100000743546_100000757381 [0,1,0,0,1,0|2,0,0]=4 6303 B14R1.92 CCSCCNC(C)Cc1ccsc1 34a_100000743546_100000757381 [0,1,0,0,1,0|2,0,0]=4 6304 B14R1.92 COCCCNC(C)Cc1ccco1 270004a_100150723488_100011216958 [0,1,0,0,1,0|2,0,0]=4 6305 B14R1.92 COCCCNC(C)Cc1cccs1 2230a_100000751415_100000740836 [0,1,0,0,1,0|2,0,0]=4 6306 B14R1.92 COCCCNC(C)Cc1ccsc1 2230a_100000743546_100000740836 [0,1,0,0,1,0|2,0,0]=4 6307 B14R1.92 COCCCNC(C)Cc1ccsc1 34a_100000743546_100000740836 [0,1,0,0,1,0|2,0,0]=4 6308 B14R1.92 CSCCCNC(C)Cc1ccco1 270004a_100000749238_100011216958 [0,1,0,0,1,0|2,0,0]=4 6309 B14R1.454 CC(Cc1ccco1)N(C)CCCO 270004a_100000213112_100011216958 [0,1,0,0,1,0|2,0,0]=4 6310 B14R1.454 CCCCN(C)C(C)Cc1ccco1 270004a_100000207549_100011216958 [0,1,0,0,1,0|2,0,0]=4 6311 B14R1.621 CC(CCO)NC(C)Cc1cccs1 2230a_100000751415_100009893172 [0,1,0,0,1,0|2,0,0]=4 6312 B14R1.621 CC(CCO)NC(C)Cc1ccsc1 2230a_100000743546_100009893172 [0,1,0,0,1,0|2,0,0]=4 6313 B14R1.621 CC(CCO)NC(C)Cc1ccsc1 34a_100000743546_100009893172 [0,1,0,0,1,0|2,0,0]=4 6314 B14R1.621 CC(Cc1ccco1)N[C@H](C)CCO 270004a_100000706166_100011216958 [0,1,0,0,1,0|2,0,0]=4 6315 B14R1.621 CCCC(C)NC(C)Cc1ccco1 270004a_100000741246_100011216958 [0,1,0,0,1,0|2,0,0]=4 6316 B14R1.621 CCCC(C)NC(C)Cc1cccs1 2230a_100000751415_100000766640 [0,1,0,0,1,0|2,0,0]=4 6317 B14R1.621 CCCC(C)NC(C)Cc1cccs1 270004a_100000751415_100000211909 [0,1,0,0,1,0|2,0,0]=4 6318 B14R1.621 CCCC(C)NC(C)Cc1ccsc1 2230a_100000743546_100000766640 [0,1,0,0,1,0|2,0,0]=4 6319 B14R1.621 CCCC(C)NC(C)Cc1ccsc1 270004a_100000743546_100000211909 [0,1,0,0,1,0|2,0,0]=4 6320 B14R1.621 CCCC(C)NC(C)Cc1ccsc1 34a_100000743546_100000766640 [0,1,0,0,1,0|2,0,0]=4 6321 B14R1.731 CC(Cc1ccco1)NC[C@@H](F)CO 270004a_100015665980_100011216958 [0,1,0,0,1,0|2,0,0]=4 6322 B14R1.731 CC(Cc1cccs1)NCC(O)CO 2230a_100000751415_100011219619 [0,1,0,0,1,0|2,0,0]=4 6323 B14R1.731 CC(Cc1cccs1)NC[C@@H](C)CO 2230a_100000751415_100000059175 [0,1,0,0,1,0|2,0,0]=4 6324 B14R1.731 CC(Cc1cccs1)NC[C@@H](O)CF 2230a_100000751415_100015614560 [0,1,0,0,1,0|1,1,0]=4 6325 B14R1.731 CC(Cc1cccs1)NC[C@@H](O)CO 2230a_100000751415_100009815848 [0,1,0,0,1,0|2,0,0]=4 6326 B14R1.731 CC(Cc1ccsc1)NCC(O)CO 2230a_100000743546_100011219619 [0,1,0,0,1,0|2,0,0]=4 6327 B14R1.731 CC(Cc1ccsc1)NCC(O)CO 34a_100000743546_100011219619 [0,1,0,0,1,0|2,0,0]=4 6328 B14R1.731 CC(Cc1ccsc1)NC[C@@H](C)CO 2230a_100000743546_100000059175 [0,1,0,0,1,0|2,0,0]=4 6329 B14R1.731 CC(Cc1ccsc1)NC[C@@H](C)CO 34a_100000743546_100000059175 [0,1,0,0,1,0|2,0,0]=4 6330 B14R1.731 CC(Cc1ccsc1)NC[C@@H](O)CF 2230a_100000743546_100015614560 [0,1,0,0,1,0|1,1,0]=4 6331 B14R1.731 CC(Cc1ccsc1)NC[C@@H](O)CF 34a_100000743546_100015614560 [0,1,0,0,1,0|1,1,0]=4 6332 B14R1.731 CC(Cc1ccsc1)NC[C@@H](O)CO 2230a_100000743546_100009815848 [0,1,0,0,1,0|2,0,0]=4 6333 B14R1.731 CC(Cc1ccsc1)NC[C@@H](O)CO 34a_100000743546_100009815848 [0,1,0,0,1,0|2,0,0]=4 6334 B14R1.731 CCC(C)CNC(C)Cc1ccco1 270004a_100020588543_100011216958 [0,1,0,0,1,0|2,0,0]=4 6335 B14R1.731 CCC(C)CNC(C)Cc1cccs1 2230a_100000751415_100000748023 [0,1,0,0,1,0|2,0,0]=4 6336 B14R1.731 CCC(C)CNC(C)Cc1cccs1 270004a_100000751415_100000243153 [0,1,0,0,1,0|2,0,0]=4 6337 B14R1.731 CCC(C)CNC(C)Cc1ccsc1 2230a_100000743546_100000748023 [0,1,0,0,1,0|2,0,0]=4 6338 B14R1.731 CCC(C)CNC(C)Cc1ccsc1 270004a_100000743546_100000243153 [0,1,0,0,1,0|2,0,0]=4 6339 B14R1.731 CCC(C)CNC(C)Cc1ccsc1 34a_100000743546_100000748023 [0,1,0,0,1,0|2,0,0]=4 6340 B14R1.731 CCC(O)CNC(C)Cc1ccco1 270004a_100011218483_100011216958 [0,1,0,0,1,0|2,0,0]=4 6341 B14R1.731 CCC(O)CNC(C)Cc1cccs1 2230a_100000751415_100011218378 [0,1,0,0,1,0|2,0,0]=4 6342 B14R1.731 CCC(O)CNC(C)Cc1ccsc1 2230a_100000743546_100011218378 [0,1,0,0,1,0|2,0,0]=4 6343 B14R1.731 CCC(O)CNC(C)Cc1ccsc1 34a_100000743546_100011218378 [0,1,0,0,1,0|2,0,0]=4 6344 B14R1.731 CC[C@H](C)CNC(C)Cc1cccs1 2230a_100000751415_100009816398 [0,1,0,0,1,0|2,0,0]=4 6345 B14R1.731 CC[C@H](C)CNC(C)Cc1ccsc1 2230a_100000743546_100009816398 [0,1,0,0,1,0|2,0,0]=4 6346 B14R1.731 CC[C@H](C)CNC(C)Cc1ccsc1 34a_100000743546_100009816398 [0,1,0,0,1,0|2,0,0]=4 6347 B14R1.777 CCC(Cc1ccco1)NCCCF 270004a_100015189416_200011996595 [0,1,0,0,1,0|1,1,0]=4 6348 B14R1.777 CCC(Cc1ccco1)NCCCO 270004a_100000182051_200011996595 [0,1,0,0,1,0|2,0,0]=4 6349 B14R1.777 CCCCNC(CC)Cc1ccco1 270004a_100000102301_200011996595 [0,1,0,0,1,0|2,0,0]=4 6350 B14R1.810 CC(C)CCNC(C)Cc1ccco1 270004a_100000210545_100011216958 [0,1,0,0,1,0|2,0,0]=4 6351 B14R1.810 CC(C)CCNC(C)Cc1cccs1 2230a_100000751415_100000210312 [0,1,0,0,1,0|2,0,0]=4 6352 B14R1.810 CC(C)CCNC(C)Cc1cccs1 269862a_100000751415_100000185833 [0,1,0,0,1,0|2,0,0]=4 6353 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 2230a_100000743546_100000210312 [0,1,0,0,1,0|2,0,0]=4 6354 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 269862a_100000743546_100000185833 [0,1,0,0,1,0|2,0,0]=4 6355 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 34a_100000743546_100000210312 [0,1,0,0,1,0|2,0,0]=4 6356 B14R1.810 CC(O)CCNC(C)Cc1ccco1 270004a_200000755665_100011216958 [0,1,0,0,1,0|2,0,0]=4 6357 B14R1.810 CC(O)CCNC(C)Cc1cccs1 2230a_100000751415_100012276601 [0,1,0,0,1,0|2,0,0]=4 6358 B14R1.810 CC(O)CCNC(C)Cc1ccsc1 2230a_100000743546_100012276601 [0,1,0,0,1,0|2,0,0]=4 6359 B14R1.810 CC(O)CCNC(C)Cc1ccsc1 34a_100000743546_100012276601 [0,1,0,0,1,0|2,0,0]=4 6360 B16R1.35 CCCCCC(C)NC(C)c1ccccc1 2230a_100000211957_100000230085 [0,1,0,0,0,1|2,0,0]=4 6361 B16R1.35 CCCCCC(C)NC(C)c1ccccc1 269862a_100000211957_100000185851 [0,1,0,0,0,1|2,0,0]=4 6362 B16R1.35 CCCCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_200011218191 [0,1,0,0,0,1|2,0,0]=4 6363 B16R1.35 CCCCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211708 [0,1,0,0,0,1|2,0,0]=4 6364 B16R1.35 CCCCCC(C)OC(C)c1ccccc1 34a_100011215632_100000211855 [0,1,0,0,0,1|2,0,0]=4 6365 B16R1.35 CCCCCC(C)OC(C)c1ccccc1 7a_100011215632_100000230085 [0,1,0,0,0,1|2,0,0]=4 6366 B16R1.35 CCCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_200011218191 [0,1,0,0,0,1|2,0,0]=4 6367 B16R1.35 CCCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_200011218191 [0,1,0,0,0,1|2,0,0]=4 6368 B16R1.35 CCCCCC(C)SC(C)c1ccccc1 62a_100000230085_200011218191 [0,1,0,0,0,1|2,0,0]=4 6369 B16R1.35 CCCCCC(C)SC(C)c1ccccc1 62a_200011218191_100000230085 [0,1,0,0,0,1|2,0,0]=4 6370 B16R1.51 C#CCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000688953 [0,1,0,0,0,1|1,0,1]=4 6371 B16R1.51 C#CCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000688953 [0,1,0,0,0,1|1,0,1]=4 6372 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)Cl 270004a_100015191253_100011279170 [0,1,0,0,0,1|1,0,1]=4 6373 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)F 270004a_100015191253_100000743244 [0,1,0,0,0,1|1,0,1]=4 6374 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)I 270004a_100015191253_100000723691 [0,1,0,0,0,1|1,0,1]=4 6375 B16R1.51 C=CCCNC(C)CCc1ccc(cc1)O 270004a_100015191253_100000198047 [0,1,0,0,0,1|1,0,1]=4 6376 B16R1.51 C=CCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000754431 [0,1,0,0,0,1|1,0,1]=4 6377 B16R1.51 C=CCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000754431 [0,1,0,0,0,1|1,0,1]=4 6378 B16R1.51 C=CCCNC(C)COc1ccc(cc1)Cl 270004a_100015191253_200000150450 [0,1,0,0,0,1|1,0,1]=4 6379 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)C 270004a_100015191253_100000172844 [0,1,0,0,0,1|1,0,1]=4 6380 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)Cl 270004a_100015191253_100000150472 [0,1,0,0,0,1|1,0,1]=4 6381 B16R1.51 C=CCCNC(C)CSc1ccc(cc1)F 270004a_100015191253_200000148136 [0,1,0,0,0,1|1,0,1]=4 6382 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100011279170 [0,1,0,0,0,1|1,0,1]=4 6383 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100011279170 [0,1,0,0,0,1|0,1,0]=3 6384 B16R1.51 CC(CCc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100011279170 [0,1,0,0,0,1|1,0,0]=3 6385 B16R1.51 CC(CCc1ccc(cc1)F)NCCC#N 270004a_100000720768_100000743244 [0,1,0,0,0,1|1,0,1]=4 6386 B16R1.51 CC(CCc1ccc(cc1)F)NCCCF 270004a_100015189416_100000743244 [0,1,0,0,0,1|0,1,0]=3 6387 B16R1.51 CC(CCc1ccc(cc1)F)NCCCO 270004a_100000182051_100000743244 [0,1,0,0,0,1|1,0,0]=3 6388 B16R1.51 CC(CCc1ccc(cc1)I)NCCC#N 270004a_100000720768_100000723691 [0,1,0,0,0,1|1,0,1]=4 6389 B16R1.51 CC(CCc1ccc(cc1)I)NCCCF 270004a_100015189416_100000723691 [0,1,0,0,0,1|0,1,0]=3 6390 B16R1.51 CC(CCc1ccc(cc1)I)NCCCO 270004a_100000182051_100000723691 [0,1,0,0,0,1|1,0,0]=3 6391 B16R1.51 CC(CCc1ccc(cc1)O)NCCC#N 270004a_100000720768_100000198047 [0,1,0,0,0,1|1,0,1]=4 6392 B16R1.51 CC(CCc1ccc(cc1)O)NCCCF 270004a_100015189416_100000198047 [0,1,0,0,0,1|0,1,0]=3 6393 B16R1.51 CC(CCc1ccc(cc1)O)NCCCO 270004a_100000182051_100000198047 [0,1,0,0,0,1|1,0,0]=3 6394 B16R1.51 CC(COc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_200000150450 [0,1,0,0,0,1|1,0,1]=4 6395 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCF 270004a_100015189416_200000150450 [0,1,0,0,0,1|0,1,0]=3 6396 B16R1.51 CC(COc1ccc(cc1)Cl)NCCCO 270004a_100000182051_200000150450 [0,1,0,0,0,1|1,0,0]=3 6397 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCC#N 270004a_100000720768_100000150472 [0,1,0,0,0,1|1,0,1]=4 6398 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100000150472 [0,1,0,0,0,1|0,1,0]=3 6399 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100000150472 [0,1,0,0,0,1|1,0,0]=3 6400 B16R1.51 CC(CSc1ccc(cc1)F)NCCC#N 270004a_100000720768_200000148136 [0,1,0,0,0,1|1,0,1]=4 6401 B16R1.51 CC(CSc1ccc(cc1)F)NCCCF 270004a_100015189416_200000148136 [0,1,0,0,0,1|0,1,0]=3 6402 B16R1.51 CC(CSc1ccc(cc1)F)NCCCO 270004a_100000182051_200000148136 [0,1,0,0,0,1|1,0,0]=3 6403 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 207a_100000211957_100000186029 [0,1,0,0,0,1|2,0,0]=4 6404 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 2230a_100000174875_200011218191 [0,1,0,0,0,1|2,0,0]=4 6405 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 2230a_100000211957_100011217064 [0,1,0,0,0,1|2,0,0]=4 6406 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 270004a_100000174875_100000211708 [0,1,0,0,0,1|2,0,0]=4 6407 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 270004a_100000211957_100000186029 [0,1,0,0,0,1|2,0,0]=4 6408 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br 34a_100000174875_200011218191 [0,1,0,0,0,1|2,0,0]=4 6409 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 207a_100000211957_100000211033 [0,1,0,0,0,1|2,0,0]=4 6410 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 2230a_100000174908_200011218191 [0,1,0,0,0,1|2,0,0]=4 6411 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 2230a_100000211957_100000210814 [0,1,0,0,0,1|2,0,0]=4 6412 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 270004a_100000174908_100000211708 [0,1,0,0,0,1|2,0,0]=4 6413 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 270004a_100000211957_100000211033 [0,1,0,0,0,1|2,0,0]=4 6414 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C 34a_100000174908_200011218191 [0,1,0,0,0,1|2,0,0]=4 6415 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 207a_100000211957_100000189385 [0,1,0,0,0,1|2,0,0]=4 6416 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_200011218191 [0,1,0,0,0,1|2,0,0]=4 6417 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 2230a_100000211957_100000694040 [0,1,0,0,0,1|2,0,0]=4 6418 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 270004a_100000174871_100000211708 [0,1,0,0,0,1|2,0,0]=4 6419 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 270004a_100000211957_100000189385 [0,1,0,0,0,1|2,0,0]=4 6420 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Cl 34a_100000174871_200011218191 [0,1,0,0,0,1|2,0,0]=4 6421 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 207a_100000211957_100000210084 [0,1,0,0,0,1|2,0,0]=4 6422 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 2230a_100000174882_200011218191 [0,1,0,0,0,1|2,0,0]=4 6423 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 2230a_100000211957_100000198546 [0,1,0,0,0,1|2,0,0]=4 6424 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 270004a_100000174882_100000211708 [0,1,0,0,0,1|2,0,0]=4 6425 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 270004a_100000211957_100000210084 [0,1,0,0,0,1|2,0,0]=4 6426 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F 34a_100000174882_200011218191 [0,1,0,0,0,1|2,0,0]=4 6427 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I 207a_100000211957_100000188517 [0,1,0,0,0,1|2,0,0]=4 6428 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I 2230a_100000211957_100000189116 [0,1,0,0,0,1|2,0,0]=4 6429 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I 2230a_100016989417_200011218191 [0,1,0,0,0,1|2,0,0]=4 6430 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I 270004a_100016989417_100000211708 [0,1,0,0,0,1|2,0,0]=4 6431 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I 34a_100016989417_200011218191 [0,1,0,0,0,1|2,0,0]=4 6432 B16R1.51 CCCCCC(C)NCc1ccc(cc1)O 34a_100000185549_200011218191 [0,1,0,0,0,1|2,0,0]=4 6433 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Br 34a_100000695286_200011218191 [0,1,0,0,0,1|2,0,0]=4 6434 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Br 34a_100011215632_100000189115 [0,1,0,0,0,1|2,0,0]=4 6435 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Br 7a_100011215632_100011217064 [0,1,0,0,0,1|2,0,0]=4 6436 B16R1.51 CCCCCC(C)OCc1ccc(cc1)C 34a_100011215236_200011218191 [0,1,0,0,0,1|2,0,0]=4 6437 B16R1.51 CCCCCC(C)OCc1ccc(cc1)C 34a_100011215632_100000210814 [0,1,0,0,0,1|2,0,0]=4 6438 B16R1.51 CCCCCC(C)OCc1ccc(cc1)C 7a_100011215236_200011218191 [0,1,0,0,0,1|2,0,0]=4 6439 B16R1.51 CCCCCC(C)OCc1ccc(cc1)C 7a_100011215632_100000210814 [0,1,0,0,0,1|2,0,0]=4 6440 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Cl 34a_100000211118_200011218191 [0,1,0,0,0,1|2,0,0]=4 6441 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Cl 34a_100011215632_100000694040 [0,1,0,0,0,1|2,0,0]=4 6442 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Cl 7a_100000211118_200011218191 [0,1,0,0,0,1|2,0,0]=4 6443 B16R1.51 CCCCCC(C)OCc1ccc(cc1)Cl 7a_100011215632_100000187161 [0,1,0,0,0,1|2,0,0]=4 6444 B16R1.51 CCCCCC(C)OCc1ccc(cc1)F 34a_100000210977_200011218191 [0,1,0,0,0,1|2,0,0]=4 6445 B16R1.51 CCCCCC(C)OCc1ccc(cc1)F 34a_100011215632_100000198546 [0,1,0,0,0,1|2,0,0]=4 6446 B16R1.51 CCCCCC(C)OCc1ccc(cc1)F 7a_100000210977_200011218191 [0,1,0,0,0,1|2,0,0]=4 6447 B16R1.51 CCCCCC(C)OCc1ccc(cc1)F 7a_100011215632_100000198546 [0,1,0,0,0,1|2,0,0]=4 6448 B16R1.51 CCCCCC(C)OCc1ccc(cc1)I 34a_100000690907_200011218191 [0,1,0,0,0,1|2,0,0]=4 6449 B16R1.51 CCCCCC(C)OCc1ccc(cc1)I 34a_100011215632_100000189116 [0,1,0,0,0,1|2,0,0]=4 6450 B16R1.51 CCCCCC(C)OCc1ccc(cc1)I 7a_100000690907_200011218191 [0,1,0,0,0,1|2,0,0]=4 6451 B16R1.51 CCCCCC(C)OCc1ccc(cc1)I 7a_100011215632_100000189116 [0,1,0,0,0,1|2,0,0]=4 6452 B16R1.51 CCCCCC(C)OCc1ccc(cc1)N 34a_100011215238_200011218191 [0,1,0,0,0,1|2,0,0]=4 6453 B16R1.51 CCCCCC(C)SCc1ccc(cc1)Br 62a_100000189115_200011218191 [0,1,0,0,0,1|2,0,0]=4 6454 B16R1.51 CCCCCC(C)SCc1ccc(cc1)Br 62a_200011218191_100000189115 [0,1,0,0,0,1|2,0,0]=4 6455 B16R1.51 CCCCCC(C)SCc1ccc(cc1)C 62a_100000210814_200011218191 [0,1,0,0,0,1|2,0,0]=4 6456 B16R1.51 CCCCCC(C)SCc1ccc(cc1)C 62a_200011218191_100000210814 [0,1,0,0,0,1|2,0,0]=4 6457 B16R1.51 CCCCCC(C)SCc1ccc(cc1)Cl 62a_100000187161_200011218191 [0,1,0,0,0,1|2,0,0]=4 6458 B16R1.51 CCCCCC(C)SCc1ccc(cc1)Cl 62a_200011218191_100000187161 [0,1,0,0,0,1|2,0,0]=4 6459 B16R1.51 CCCCCC(C)SCc1ccc(cc1)F 62a_100000198546_200011218191 [0,1,0,0,0,1|2,0,0]=4 6460 B16R1.51 CCCCCC(C)SCc1ccc(cc1)F 62a_200011218191_100000187164 [0,1,0,0,0,1|2,0,0]=4 6461 B16R1.51 CCCCCC(C)SCc1ccc(cc1)I 62a_100000189116_200011218191 [0,1,0,0,0,1|2,0,0]=4 6462 B16R1.51 CCCCCC(C)SCc1ccc(cc1)I 62a_200011218191_100000189116 [0,1,0,0,0,1|2,0,0]=4 6463 B16R1.51 CCCCNC(C)CCc1ccc(cc1)Cl 270004a_100000102301_100011279170 [0,1,0,0,0,1|1,0,0]=3 6464 B16R1.51 CCCCNC(C)CCc1ccc(cc1)F 270004a_100000102301_100000743244 [0,1,0,0,0,1|1,0,0]=3 6465 B16R1.51 CCCCNC(C)CCc1ccc(cc1)I 270004a_100000102301_100000723691 [0,1,0,0,0,1|1,0,0]=3 6466 B16R1.51 CCCCNC(C)CCc1ccc(cc1)O 270004a_100000102301_100000198047 [0,1,0,0,0,1|1,0,0]=3 6467 B16R1.51 CCCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000210211 [0,1,0,0,0,1|1,0,0]=3 6468 B16R1.51 CCCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000210210 [0,1,0,0,0,1|1,0,0]=3 6469 B16R1.51 CCCCNC(C)COc1ccc(cc1)Cl 270004a_100000102301_200000150450 [0,1,0,0,0,1|1,0,0]=3 6470 B16R1.51 CCCCNC(C)CSc1ccc(cc1)C 270004a_100000102301_100000172844 [0,1,0,0,0,1|1,0,0]=3 6471 B16R1.51 CCCCNC(C)CSc1ccc(cc1)Cl 270004a_100000102301_100000150472 [0,1,0,0,0,1|1,0,0]=3 6472 B16R1.51 CCCCNC(C)CSc1ccc(cc1)F 270004a_100000102301_200000148136 [0,1,0,0,0,1|1,0,0]=3 6473 B16R1.51 CCCCOC(C)COc1ccc(cc1)C 34a_100011217472_100000210210 [0,1,0,0,0,1|2,0,0]=4 6474 B16R1.51 CCCCOC(C)COc1ccc(cc1)C 7a_100011217472_100000210211 [0,1,0,0,0,1|2,0,0]=4 6475 B16R1.51 COCCNC(C)CCc1ccc(cc1)Cl 270004a_100000209980_100011279170 [0,1,0,0,0,1|2,0,0]=4 6476 B16R1.51 COCCNC(C)CCc1ccc(cc1)F 270004a_100000209980_100000743244 [0,1,0,0,0,1|2,0,0]=4 6477 B16R1.51 COCCNC(C)CCc1ccc(cc1)I 270004a_100000209980_100000723691 [0,1,0,0,0,1|2,0,0]=4 6478 B16R1.51 COCCNC(C)CCc1ccc(cc1)O 270004a_100000209980_100000198047 [0,1,0,0,0,1|2,0,0]=4 6479 B16R1.51 COCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100011201679 [0,1,0,0,0,1|2,0,0]=4 6480 B16R1.51 COCCNC(C)COc1ccc(cc1)C 34a_100000743913_100011201679 [0,1,0,0,0,1|2,0,0]=4 6481 B16R1.51 COCCNC(C)COc1ccc(cc1)Cl 270004a_100000209980_200000150450 [0,1,0,0,0,1|2,0,0]=4 6482 B16R1.51 COCCNC(C)CSc1ccc(cc1)C 270004a_100000209980_100000172844 [0,1,0,0,0,1|2,0,0]=4 6483 B16R1.51 COCCNC(C)CSc1ccc(cc1)Cl 270004a_100000209980_100000150472 [0,1,0,0,0,1|2,0,0]=4 6484 B16R1.51 COCCNC(C)CSc1ccc(cc1)F 270004a_100000209980_200000148136 [0,1,0,0,0,1|2,0,0]=4 6485 B16R1.51 CSCCNC(C)CCc1ccc(cc1)Cl 270004a_100020590264_100011279170 [0,1,0,0,0,1|2,0,0]=4 6486 B16R1.51 CSCCNC(C)CCc1ccc(cc1)F 270004a_100020590264_100000743244 [0,1,0,0,0,1|2,0,0]=4 6487 B16R1.51 CSCCNC(C)CCc1ccc(cc1)I 270004a_100020590264_100000723691 [0,1,0,0,0,1|2,0,0]=4 6488 B16R1.51 CSCCNC(C)CCc1ccc(cc1)O 270004a_100020590264_100000198047 [0,1,0,0,0,1|2,0,0]=4 6489 B16R1.51 CSCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000751147 [0,1,0,0,0,1|2,0,0]=4 6490 B16R1.51 CSCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000212216 [0,1,0,0,0,1|2,0,0]=4 6491 B16R1.51 CSCCNC(C)COc1ccc(cc1)Cl 270004a_100020590264_200000150450 [0,1,0,0,0,1|2,0,0]=4 6492 B16R1.51 CSCCNC(C)CSc1ccc(cc1)C 270004a_100020590264_100000172844 [0,1,0,0,0,1|2,0,0]=4 6493 B16R1.51 CSCCNC(C)CSc1ccc(cc1)Cl 270004a_100020590264_100000150472 [0,1,0,0,0,1|2,0,0]=4 6494 B16R1.51 CSCCNC(C)CSc1ccc(cc1)F 270004a_100020590264_200000148136 [0,1,0,0,0,1|2,0,0]=4 6495 B16R1.51 Cc1ccc(cc1)OCC(C)NCCC#N 2230a_100000743913_100011215226 [0,1,0,0,0,1|1,0,1]=4 6496 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCF 2230a_100000743913_100011934791 [0,1,0,0,0,1|0,1,0]=3 6497 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCF 34a_100000743913_100011934791 [0,1,0,0,0,1|0,1,0]=3 6498 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCO 2230a_100000743913_100000230001 [0,1,0,0,0,1|1,0,0]=3 6499 B16R1.51 Cc1ccc(cc1)OCC(C)NCCCO 34a_100000743913_100000230001 [0,1,0,0,0,1|1,0,0]=3 6500 B16R1.51 Cc1ccc(cc1)OCC(C)OCCCF 34a_100011217472_100011934791 [0,1,0,0,0,1|1,1,0]=4 6501 B16R1.51 Cc1ccc(cc1)OCC(C)OCCCF 7a_100011217472_100011934791 [0,1,0,0,0,1|1,1,0]=4 6502 B16R1.51 Cc1ccc(cc1)OCC(C)OCCCO 34a_100011217472_100000230001 [0,1,0,0,0,1|2,0,0]=4 6503 B16R1.51 Cc1ccc(cc1)OCC(C)OCCCO 7a_100011217472_100011215043 [0,1,0,0,0,1|2,0,0]=4 6504 B16R1.51 Cc1ccc(cc1)SCC(C)NCCC#N 270004a_100000720768_100000172844 [0,1,0,0,0,1|1,0,1]=4 6505 B16R1.51 Cc1ccc(cc1)SCC(C)NCCCF 270004a_100015189416_100000172844 [0,1,0,0,0,1|0,1,0]=3 6506 B16R1.51 Cc1ccc(cc1)SCC(C)NCCCO 270004a_100000182051_100000172844 [0,1,0,0,0,1|1,0,0]=3 6507 B16R1.52 C=CCCNC(C)CCc1cccc(c1)Br 270004a_100015191253_100011279149 [0,1,0,0,0,1|1,0,1]=4 6508 B16R1.52 C=CCCNC(C)CCc1cccc(c1)F 270004a_100015191253_100000743863 [0,1,0,0,0,1|1,0,1]=4 6509 B16R1.52 CC(CCc1cccc(c1)Br)NCCC#N 270004a_100000720768_100011279149 [0,1,0,0,0,1|1,0,1]=4 6510 B16R1.52 CC(CCc1cccc(c1)Br)NCCCF 270004a_100015189416_100011279149 [0,1,0,0,0,1|0,1,0]=3 6511 B16R1.52 CC(CCc1cccc(c1)Br)NCCCO 270004a_100000182051_100011279149 [0,1,0,0,0,1|1,0,0]=3 6512 B16R1.52 CC(CCc1cccc(c1)F)NCCC#N 270004a_100000720768_100000743863 [0,1,0,0,0,1|1,0,1]=4 6513 B16R1.52 CC(CCc1cccc(c1)F)NCCCF 270004a_100015189416_100000743863 [0,1,0,0,0,1|0,1,0]=3 6514 B16R1.52 CC(CCc1cccc(c1)F)NCCCO 270004a_100000182051_100000743863 [0,1,0,0,0,1|1,0,0]=3 6515 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 207a_100000211957_100000210085 [0,1,0,0,0,1|2,0,0]=4 6516 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 2230a_100000174977_200011218191 [0,1,0,0,0,1|2,0,0]=4 6517 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 2230a_100000211957_100000698116 [0,1,0,0,0,1|2,0,0]=4 6518 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 270004a_100000174977_100000211708 [0,1,0,0,0,1|2,0,0]=4 6519 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 270004a_100000211957_100000210085 [0,1,0,0,0,1|2,0,0]=4 6520 B16R1.52 CCCCCC(C)NCc1cccc(c1)Br 34a_100000174977_200011218191 [0,1,0,0,0,1|2,0,0]=4 6521 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 207a_100000211957_100000211157 [0,1,0,0,0,1|2,0,0]=4 6522 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 2230a_100000185548_200011218191 [0,1,0,0,0,1|2,0,0]=4 6523 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 2230a_100000211957_100000211840 [0,1,0,0,0,1|2,0,0]=4 6524 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 270004a_100000185548_100000211708 [0,1,0,0,0,1|2,0,0]=4 6525 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 270004a_100000211957_100000211157 [0,1,0,0,0,1|2,0,0]=4 6526 B16R1.52 CCCCCC(C)NCc1cccc(c1)C 34a_100000185548_200011218191 [0,1,0,0,0,1|2,0,0]=4 6527 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 207a_100000211957_100000210801 [0,1,0,0,0,1|2,0,0]=4 6528 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 2230a_100000174878_200011218191 [0,1,0,0,0,1|2,0,0]=4 6529 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 2230a_100000211957_100000181238 [0,1,0,0,0,1|2,0,0]=4 6530 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 270004a_100000174878_100000211708 [0,1,0,0,0,1|2,0,0]=4 6531 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 270004a_100000211957_100000210801 [0,1,0,0,0,1|2,0,0]=4 6532 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl 34a_100000174878_200011218191 [0,1,0,0,0,1|2,0,0]=4 6533 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 207a_100000211957_100000210812 [0,1,0,0,0,1|2,0,0]=4 6534 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 2230a_100000174948_200011218191 [0,1,0,0,0,1|2,0,0]=4 6535 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 2230a_100000211957_100000230114 [0,1,0,0,0,1|2,0,0]=4 6536 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 270004a_100000174948_100000211708 [0,1,0,0,0,1|2,0,0]=4 6537 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 270004a_100000211957_100000210812 [0,1,0,0,0,1|2,0,0]=4 6538 B16R1.52 CCCCCC(C)NCc1cccc(c1)F 34a_100000174948_200011218191 [0,1,0,0,0,1|2,0,0]=4 6539 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 207a_100000211957_100000014684 [0,1,0,0,0,1|2,0,0]=4 6540 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 2230a_100000106179_200011218191 [0,1,0,0,0,1|2,0,0]=4 6541 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 2230a_100000211957_100011218688 [0,1,0,0,0,1|2,0,0]=4 6542 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 270004a_100000106179_100000211708 [0,1,0,0,0,1|2,0,0]=4 6543 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 270004a_100000211957_100000014684 [0,1,0,0,0,1|2,0,0]=4 6544 B16R1.52 CCCCCC(C)NCc1cccc(c1)I 34a_100000106179_200011218191 [0,1,0,0,0,1|2,0,0]=4 6545 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 207a_100000211957_100000188321 [0,1,0,0,0,1|2,0,0]=4 6546 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 2230a_100000211957_100011660834 [0,1,0,0,0,1|2,0,0]=4 6547 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 2230a_100000743036_200011218191 [0,1,0,0,0,1|2,0,0]=4 6548 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 270004a_100000211957_100000188321 [0,1,0,0,0,1|2,0,0]=4 6549 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 270004a_100000743036_100000211708 [0,1,0,0,0,1|2,0,0]=4 6550 B16R1.52 CCCCCC(C)NCc1cccc(c1)O 34a_100000743036_200011218191 [0,1,0,0,0,1|2,0,0]=4 6551 B16R1.52 CCCCCC(C)OCc1cccc(c1)Br 34a_100000687537_200011218191 [0,1,0,0,0,1|2,0,0]=4 6552 B16R1.52 CCCCCC(C)OCc1cccc(c1)Br 34a_100011215632_100000698116 [0,1,0,0,0,1|2,0,0]=4 6553 B16R1.52 CCCCCC(C)OCc1cccc(c1)Br 7a_100000687537_200011218191 [0,1,0,0,0,1|2,0,0]=4 6554 B16R1.52 CCCCCC(C)OCc1cccc(c1)Br 7a_100011215632_100000211773 [0,1,0,0,0,1|2,0,0]=4 6555 B16R1.52 CCCCCC(C)OCc1cccc(c1)C 34a_100011215632_100000211840 [0,1,0,0,0,1|2,0,0]=4 6556 B16R1.52 CCCCCC(C)OCc1cccc(c1)C 34a_100011217746_200011218191 [0,1,0,0,0,1|2,0,0]=4 6557 B16R1.52 CCCCCC(C)OCc1cccc(c1)C 7a_100011215632_100000211840 [0,1,0,0,0,1|2,0,0]=4 6558 B16R1.52 CCCCCC(C)OCc1cccc(c1)C 7a_100011217746_200011218191 [0,1,0,0,0,1|2,0,0]=4 6559 B16R1.52 CCCCCC(C)OCc1cccc(c1)Cl 34a_100000241301_200011218191 [0,1,0,0,0,1|2,0,0]=4 6560 B16R1.52 CCCCCC(C)OCc1cccc(c1)Cl 34a_100011215632_100000187163 [0,1,0,0,0,1|2,0,0]=4 6561 B16R1.52 CCCCCC(C)OCc1cccc(c1)Cl 7a_100000241301_200011218191 [0,1,0,0,0,1|2,0,0]=4 6562 B16R1.52 CCCCCC(C)OCc1cccc(c1)Cl 7a_100011215632_100000187163 [0,1,0,0,0,1|2,0,0]=4 6563 B16R1.52 CCCCCC(C)OCc1cccc(c1)F 34a_100000210976_200011218191 [0,1,0,0,0,1|2,0,0]=4 6564 B16R1.52 CCCCCC(C)OCc1cccc(c1)F 34a_100011215632_100000187166 [0,1,0,0,0,1|2,0,0]=4 6565 B16R1.52 CCCCCC(C)OCc1cccc(c1)F 7a_100000210976_200011218191 [0,1,0,0,0,1|2,0,0]=4 6566 B16R1.52 CCCCCC(C)OCc1cccc(c1)F 7a_100011215632_100000230114 [0,1,0,0,0,1|2,0,0]=4 6567 B16R1.52 CCCCCC(C)OCc1cccc(c1)I 34a_100011215336_200011218191 [0,1,0,0,0,1|2,0,0]=4 6568 B16R1.52 CCCCCC(C)OCc1cccc(c1)I 34a_100011215632_100011218688 [0,1,0,0,0,1|2,0,0]=4 6569 B16R1.52 CCCCCC(C)OCc1cccc(c1)I 7a_100011215336_200011218191 [0,1,0,0,0,1|2,0,0]=4 6570 B16R1.52 CCCCCC(C)OCc1cccc(c1)I 7a_100011215632_100011218688 [0,1,0,0,0,1|2,0,0]=4 6571 B16R1.52 CCCCCC(C)OCc1cccc(c1)N 34a_100000211919_200011218191 [0,1,0,0,0,1|2,0,0]=4 6572 B16R1.52 CCCCCC(C)OCc1cccc(c1)O 34a_100011215632_100011660834 [0,1,0,0,0,1|2,0,0]=4 6573 B16R1.52 CCCCCC(C)OCc1cccc(c1)O 7a_100011215632_100000084143 [0,1,0,0,0,1|2,0,0]=4 6574 B16R1.52 CCCCCC(C)SCc1cccc(c1)Br 62a_100000211773_200011218191 [0,1,0,0,0,1|2,0,0]=4 6575 B16R1.52 CCCCCC(C)SCc1cccc(c1)Br 62a_200011218191_100000211773 [0,1,0,0,0,1|2,0,0]=4 6576 B16R1.52 CCCCCC(C)SCc1cccc(c1)C 62a_100000211840_200011218191 [0,1,0,0,0,1|2,0,0]=4 6577 B16R1.52 CCCCCC(C)SCc1cccc(c1)C 62a_200011218191_100000211840 [0,1,0,0,0,1|2,0,0]=4 6578 B16R1.52 CCCCCC(C)SCc1cccc(c1)Cl 62a_100000187163_200011218191 [0,1,0,0,0,1|2,0,0]=4 6579 B16R1.52 CCCCCC(C)SCc1cccc(c1)Cl 62a_200011218191_100000187163 [0,1,0,0,0,1|2,0,0]=4 6580 B16R1.52 CCCCCC(C)SCc1cccc(c1)F 62a_100000230114_200011218191 [0,1,0,0,0,1|2,0,0]=4 6581 B16R1.52 CCCCCC(C)SCc1cccc(c1)F 62a_200011218191_100000230114 [0,1,0,0,0,1|2,0,0]=4 6582 B16R1.52 CCCCCC(C)SCc1cccc(c1)I 62a_100011218688_200011218191 [0,1,0,0,0,1|2,0,0]=4 6583 B16R1.52 CCCCCC(C)SCc1cccc(c1)I 62a_200011218191_100011218688 [0,1,0,0,0,1|2,0,0]=4 6584 B16R1.52 CCCCCC(C)SCc1cccc(c1)O 62a_100011660834_200011218191 [0,1,0,0,0,1|2,0,0]=4 6585 B16R1.52 CCCCCC(C)SCc1cccc(c1)O 62a_200011218191_100011660834 [0,1,0,0,0,1|2,0,0]=4 6586 B16R1.52 CCCCNC(C)CCc1cccc(c1)Br 270004a_100000102301_100011279149 [0,1,0,0,0,1|1,0,0]=3 6587 B16R1.52 CCCCNC(C)CCc1cccc(c1)F 270004a_100000102301_100000743863 [0,1,0,0,0,1|1,0,0]=3 6588 B16R1.52 CCCCOC(C)COc1cccc(c1)C 34a_200011219432_100000210210 [0,1,0,0,0,1|2,0,0]=4 6589 B16R1.52 CCCCOC(C)COc1cccc(c1)C 7a_200011219432_100000210211 [0,1,0,0,0,1|2,0,0]=4 6590 B16R1.52 COCCNC(C)CCc1cccc(c1)Br 270004a_100000209980_100011279149 [0,1,0,0,0,1|2,0,0]=4 6591 B16R1.52 COCCNC(C)CCc1cccc(c1)F 270004a_100000209980_100000743863 [0,1,0,0,0,1|2,0,0]=4 6592 B16R1.52 CSCCNC(C)CCc1cccc(c1)Br 270004a_100020590264_100011279149 [0,1,0,0,0,1|2,0,0]=4 6593 B16R1.52 CSCCNC(C)CCc1cccc(c1)F 270004a_100020590264_100000743863 [0,1,0,0,0,1|2,0,0]=4 6594 B16R1.52 Cc1cccc(c1)OCC(C)OCCCF 34a_200011219432_100011934791 [0,1,0,0,0,1|1,1,0]=4 6595 B16R1.52 Cc1cccc(c1)OCC(C)OCCCF 7a_200011219432_100011934791 [0,1,0,0,0,1|1,1,0]=4 6596 B16R1.52 Cc1cccc(c1)OCC(C)OCCCO 34a_200011219432_100000230001 [0,1,0,0,0,1|2,0,0]=4 6597 B16R1.52 Cc1cccc(c1)OCC(C)OCCCO 7a_200011219432_100011215043 [0,1,0,0,0,1|2,0,0]=4 6598 B16R1.608 C=C(C)CCNC(C)CCc1ccccc1 2230a_100000210798_100000730704 [0,1,0,0,0,1|1,0,1]=4 6599 B16R1.608 C=C(C)CCNC(C)CCc1ccccc1 34a_100000210798_100000730704 [0,1,0,0,0,1|1,0,1]=4 6600 B16R1.608 C=C(C)CCNC(C)COc1ccccc1 2230a_100000746794_100000730704 [0,1,0,0,0,1|1,0,1]=4 6601 B16R1.608 C=C(C)CCNC(C)COc1ccccc1 34a_100000746794_100000730704 [0,1,0,0,0,1|1,0,1]=4 6602 B16R1.608 CC(C)CCCC(C)NCc1ccccc1 207a_100000210607_100015611070 [0,1,0,0,0,1|2,0,0]=4 6603 B16R1.608 CC(C)CCCC(C)NCc1ccccc1 2230a_100000210607_100015291786 [0,1,0,0,0,1|2,0,0]=4 6604 B16R1.608 CC(C)CCCC(C)NCc1ccccc1 270004a_100000210607_100015611070 [0,1,0,0,0,1|2,0,0]=4 6605 B16R1.608 CC(C)CCCC(C)NCc1ccccc1 270004a_100015324214_100000753411 [0,1,0,0,0,1|2,0,0]=4 6606 B16R1.608 CC(C)CCCC(C)OCc1ccccc1 34a_200011218570_100015291786 [0,1,0,0,0,1|2,0,0]=4 6607 B16R1.608 CC(C)CCCC(C)OCc1ccccc1 7a_200011218570_100000211182 [0,1,0,0,0,1|2,0,0]=4 6608 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 2230a_100000210798_100000210312 [0,1,0,0,0,1|1,0,0]=3 6609 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 269862a_100000210798_100000185833 [0,1,0,0,0,1|1,0,0]=3 6610 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 270004a_100000210545_100000210092 [0,1,0,0,0,1|1,0,0]=3 6611 B16R1.608 CC(C)CCNC(C)CCc1ccccc1 34a_100000210798_100000210312 [0,1,0,0,0,1|1,0,0]=3 6612 B16R1.608 CC(C)CCNC(C)COc1ccccc1 2230a_100000746794_100000210312 [0,1,0,0,0,1|1,0,0]=3 6613 B16R1.608 CC(C)CCNC(C)COc1ccccc1 269862a_100000746794_100000185833 [0,1,0,0,0,1|1,0,0]=3 6614 B16R1.608 CC(C)CCNC(C)COc1ccccc1 270004a_100000210545_100000150576 [0,1,0,0,0,1|1,0,0]=3 6615 B16R1.608 CC(C)CCNC(C)COc1ccccc1 34a_100000746794_100000210312 [0,1,0,0,0,1|1,0,0]=3 6616 B16R1.608 CC(C)CCNC(C)CSc1ccccc1 270004a_100000210545_100000150717 [0,1,0,0,0,1|1,0,0]=3 6617 B16R1.608 CC(C)CCOC(C)COc1ccccc1 34a_100000210911_100000210312 [0,1,0,0,0,1|2,0,0]=4 6618 B16R1.608 CC(C)CCOC(C)COc1ccccc1 7a_100000210911_100000210626 [0,1,0,0,0,1|2,0,0]=4 6619 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210312 [0,1,0,0,0,1|2,0,0]=4 6620 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210626 [0,1,0,0,0,1|2,0,0]=4 6621 B16R1.608 CC(CCc1ccccc1)NCCC(=O)N 2230a_100000210798_100000744528 [0,1,0,0,0,1|1,0,1]=4 6622 B16R1.608 CC(CCc1ccccc1)NCCC(=O)N 34a_100000210798_100000731001 [0,1,0,0,0,1|1,0,1]=4 6623 B16R1.608 CC(CCc1ccccc1)NCCN(C)C 270004a_100000210585_100000210092 [0,1,0,0,0,1|2,0,0]=4 6624 B16R1.608 CC(CCc1ccccc1)NCOC(C)C 2230a_100000210798_100000709892 [0,1,0,0,0,1|2,0,0]=4 6625 B16R1.608 CC(CCc1ccccc1)NCOC(C)C 34a_100000210798_100000709892 [0,1,0,0,0,1|2,0,0]=4 6626 B16R1.608 CC(COc1ccccc1)NCCC(=O)N 2230a_100000746794_100000744528 [0,1,0,0,0,1|1,0,1]=4 6627 B16R1.608 CC(COc1ccccc1)NCCC(=O)N 34a_100000746794_100000731001 [0,1,0,0,0,1|1,0,1]=4 6628 B16R1.608 CC(COc1ccccc1)NCCN(C)C 270004a_100000210585_100000150576 [0,1,0,0,0,1|2,0,0]=4 6629 B16R1.608 CC(COc1ccccc1)NCOC(C)C 2230a_100000746794_100000709892 [0,1,0,0,0,1|2,0,0]=4 6630 B16R1.608 CC(COc1ccccc1)NCOC(C)C 34a_100000746794_100000709892 [0,1,0,0,0,1|2,0,0]=4 6631 B16R1.608 CC(CSc1ccccc1)NCCN(C)C 270004a_100000210585_100000150717 [0,1,0,0,0,1|2,0,0]=4 6632 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 2230a_100000210798_100012276601 [0,1,0,0,0,1|1,0,0]=3 6633 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 270004a_200000755665_100000210092 [0,1,0,0,0,1|1,0,0]=3 6634 B16R1.608 CC(O)CCNC(C)CCc1ccccc1 34a_100000210798_100012276601 [0,1,0,0,0,1|1,0,0]=3 6635 B16R1.608 CC(O)CCNC(C)COc1ccccc1 2230a_100000746794_100012276601 [0,1,0,0,0,1|1,0,0]=3 6636 B16R1.608 CC(O)CCNC(C)COc1ccccc1 270004a_200000755665_100000150576 [0,1,0,0,0,1|1,0,0]=3 6637 B16R1.608 CC(O)CCNC(C)COc1ccccc1 34a_100000746794_100012276601 [0,1,0,0,0,1|1,0,0]=3 6638 B16R1.608 CC(O)CCNC(C)CSc1ccccc1 270004a_200000755665_100000150717 [0,1,0,0,0,1|1,0,0]=3 6639 B16R1.608 CC(O)CCOC(C)COc1ccccc1 34a_100000210911_100012276601 [0,1,0,0,0,1|2,0,0]=4 6640 B16R1.608 CC(O)CCOC(C)COc1ccccc1 7a_100000210911_100012276601 [0,1,0,0,0,1|2,0,0]=4 6641 B16R1.608 CC(O)CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100012276601 [0,1,0,0,0,1|2,0,0]=4 6642 B16R1.608 CC(O)CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100012276601 [0,1,0,0,0,1|2,0,0]=4 6643 B16R1.688 C#CCCCNC(C)CCc1ccccc1 2230a_100000210798_100000731252 [0,1,0,0,0,1|1,0,0]=3 6644 B16R1.688 C#CCCCNC(C)CCc1ccccc1 270004a_100000718082_100000210092 [0,1,0,0,0,1|1,0,0]=3 6645 B16R1.688 C#CCCCNC(C)CCc1ccccc1 34a_100000210798_100000695029 [0,1,0,0,0,1|1,0,0]=3 6646 B16R1.688 C#CCCCNC(C)COc1ccccc1 2230a_100000746794_100000731252 [0,1,0,0,0,1|1,0,0]=3 6647 B16R1.688 C#CCCCNC(C)COc1ccccc1 270004a_100000718082_100000150576 [0,1,0,0,0,1|1,0,0]=3 6648 B16R1.688 C#CCCCNC(C)COc1ccccc1 34a_100000746794_100000695029 [0,1,0,0,0,1|1,0,0]=3 6649 B16R1.688 C#CCCCNC(C)CSc1ccccc1 270004a_100000718082_100000150717 [0,1,0,0,0,1|1,0,0]=3 6650 B16R1.688 C#CCCCOC(C)COc1ccccc1 34a_100000210911_100000695029 [0,1,0,0,0,1|2,0,0]=4 6651 B16R1.688 C#CCCCOC(C)COc1ccccc1 7a_100000210911_100011215417 [0,1,0,0,0,1|2,0,0]=4 6652 B16R1.688 C#CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000695029 [0,1,0,0,0,1|2,0,0]=4 6653 B16R1.688 C#CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100011215417 [0,1,0,0,0,1|2,0,0]=4 6654 B16R1.688 C=CCCCNC(C)CCc1ccccc1 2230a_100000210798_100011713584 [0,1,0,0,0,1|1,0,0]=3 6655 B16R1.688 C=CCCCNC(C)CCc1ccccc1 270004a_100000700776_100000210092 [0,1,0,0,0,1|1,0,0]=3 6656 B16R1.688 C=CCCCNC(C)CCc1ccccc1 34a_100000210798_100000757094 [0,1,0,0,0,1|1,0,0]=3 6657 B16R1.688 C=CCCCNC(C)COc1ccccc1 2230a_100000746794_100011713584 [0,1,0,0,0,1|1,0,0]=3 6658 B16R1.688 C=CCCCNC(C)COc1ccccc1 270004a_100000700776_100000150576 [0,1,0,0,0,1|1,0,0]=3 6659 B16R1.688 C=CCCCNC(C)COc1ccccc1 34a_100000746794_100000757094 [0,1,0,0,0,1|1,0,0]=3 6660 B16R1.688 C=CCCCNC(C)CSc1ccccc1 270004a_100000700776_100000150717 [0,1,0,0,0,1|1,0,0]=3 6661 B16R1.688 C=CCCCOC(C)COc1ccccc1 34a_100000210911_100000757094 [0,1,0,0,0,1|2,0,0]=4 6662 B16R1.688 C=CCCCOC(C)COc1ccccc1 7a_100000210911_100000757094 [0,1,0,0,0,1|2,0,0]=4 6663 B16R1.688 C=CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000757094 [0,1,0,0,0,1|2,0,0]=4 6664 B16R1.688 C=CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000757094 [0,1,0,0,0,1|2,0,0]=4 6665 B16R1.688 C=COCCNC(C)CCc1ccccc1 2230a_100000210798_100000039644 [0,1,0,0,0,1|1,0,1]=4 6666 B16R1.688 C=COCCNC(C)CCc1ccccc1 34a_100000210798_100000039644 [0,1,0,0,0,1|1,0,1]=4 6667 B16R1.688 C=COCCNC(C)COc1ccccc1 2230a_100000746794_100000039644 [0,1,0,0,0,1|1,0,1]=4 6668 B16R1.688 C=COCCNC(C)COc1ccccc1 34a_100000746794_100000039644 [0,1,0,0,0,1|1,0,1]=4 6669 B16R1.688 CC(CCNCCF)CCc1ccccc1 269862a_100000724931_200000075208 [0,1,0,0,0,1|1,1,0]=4 6670 B16R1.688 CC(CCNCCO)CCc1ccccc1 269862a_100000210304_200000075208 [0,1,0,0,0,1|2,0,0]=4 6671 B16R1.688 CC(CCc1ccccc1)NCC#CCO 2230a_100000210798_200000047223 [0,1,0,0,0,1|1,0,1]=4 6672 B16R1.688 CC(CCc1ccccc1)NCC#CCO 34a_100000210798_200000047223 [0,1,0,0,0,1|1,0,1]=4 6673 B16R1.688 CC(CCc1ccccc1)NCCCC#N 2230a_100000210798_100000687738 [0,1,0,0,0,1|1,0,0]=3 6674 B16R1.688 CC(CCc1ccccc1)NCCCC=O 2230a_100000210798_200011292268 [0,1,0,0,0,1|1,0,0]=3 6675 B16R1.688 CC(CCc1ccccc1)NCCCCF 2230a_100000210798_100000729493 [0,1,0,0,0,1|0,1,0]=3 6676 B16R1.688 CC(CCc1ccccc1)NCCCCF 34a_100000210798_100000729493 [0,1,0,0,0,1|0,1,0]=3 6677 B16R1.688 CC(CCc1ccccc1)NCCCCO 2230a_100000210798_100000210776 [0,1,0,0,0,1|1,0,0]=3 6678 B16R1.688 CC(CCc1ccccc1)NCCCCO 270004a_100000750430_100000210092 [0,1,0,0,0,1|1,0,0]=3 6679 B16R1.688 CC(CCc1ccccc1)NCCCCO 34a_100000210798_100011216708 [0,1,0,0,0,1|1,0,0]=3 6680 B16R1.688 CC(COc1ccccc1)NCC#CCO 2230a_100000746794_200000047223 [0,1,0,0,0,1|1,0,1]=4 6681 B16R1.688 CC(COc1ccccc1)NCC#CCO 34a_100000746794_200000047223 [0,1,0,0,0,1|1,0,1]=4 6682 B16R1.688 CC(COc1ccccc1)NCCCC#N 2230a_100000746794_100000687738 [0,1,0,0,0,1|1,0,0]=3 6683 B16R1.688 CC(COc1ccccc1)NCCCC=O 2230a_100000746794_200011292268 [0,1,0,0,0,1|1,0,0]=3 6684 B16R1.688 CC(COc1ccccc1)NCCCCF 2230a_100000746794_100000729493 [0,1,0,0,0,1|0,1,0]=3 6685 B16R1.688 CC(COc1ccccc1)NCCCCF 34a_100000746794_100000729493 [0,1,0,0,0,1|0,1,0]=3 6686 B16R1.688 CC(COc1ccccc1)NCCCCO 2230a_100000746794_100000210776 [0,1,0,0,0,1|1,0,0]=3 6687 B16R1.688 CC(COc1ccccc1)NCCCCO 270004a_100000750430_100000150576 [0,1,0,0,0,1|1,0,0]=3 6688 B16R1.688 CC(COc1ccccc1)NCCCCO 34a_100000746794_100011216708 [0,1,0,0,0,1|1,0,0]=3 6689 B16R1.688 CC(COc1ccccc1)NCCOCF 34a_200009868044_100015361967 [0,1,0,0,0,1|0,1,0]=3 6690 B16R1.688 CC(COc1ccccc1)OCCCC#N 7a_100000210911_100000687738 [0,1,0,0,0,1|2,0,0]=4 6691 B16R1.688 CC(COc1ccccc1)OCCCC=O 7a_100000210911_200011292268 [0,1,0,0,0,1|2,0,0]=4 6692 B16R1.688 CC(COc1ccccc1)OCCCCF 34a_100000210911_100000729493 [0,1,0,0,0,1|1,1,0]=4 6693 B16R1.688 CC(COc1ccccc1)OCCCCF 7a_100000210911_100000729493 [0,1,0,0,0,1|1,1,0]=4 6694 B16R1.688 CC(COc1ccccc1)OCCCCO 34a_100000210911_100011216708 [0,1,0,0,0,1|2,0,0]=4 6695 B16R1.688 CC(COc1ccccc1)OCCCCO 7a_100000210911_100000210776 [0,1,0,0,0,1|2,0,0]=4 6696 B16R1.688 CC(COc1ccccc1)OCCCO[13CH3] 34a_200011103555_200025704644 [0,1,0,0,0,1|2,0,0]=4 6697 B16R1.688 CC(COc1ccccc1)OCCCO[13CH3] 7a_200011103555_200025704644 [0,1,0,0,0,1|2,0,0]=4 6698 B16R1.688 CC(CSc1ccccc1)NCCCCO 270004a_100000750430_100000150717 [0,1,0,0,0,1|1,0,0]=3 6699 B16R1.688 CC/C=C\CNC(C)CCc1ccccc1 2230a_100000210798_100103147603 [0,1,0,0,0,1|1,0,1]=4 6700 B16R1.688 CC/C=C\CNC(C)CCc1ccccc1 34a_100000210798_100103147603 [0,1,0,0,0,1|1,0,1]=4 6701 B16R1.688 CC/C=C\CNC(C)COc1ccccc1 2230a_100000746794_100103147603 [0,1,0,0,0,1|1,0,1]=4 6702 B16R1.688 CC/C=C\CNC(C)COc1ccccc1 34a_100000746794_100103147603 [0,1,0,0,0,1|1,0,1]=4 6703 B16R1.688 CCC#CCNC(C)CCc1ccccc1 2230a_100000210798_100009813939 [0,1,0,0,0,1|1,0,1]=4 6704 B16R1.688 CCC#CCNC(C)CCc1ccccc1 34a_100000210798_100009813939 [0,1,0,0,0,1|1,0,1]=4 6705 B16R1.688 CCC#CCNC(C)COc1ccccc1 2230a_100000746794_100009813939 [0,1,0,0,0,1|1,0,1]=4 6706 B16R1.688 CCC#CCNC(C)COc1ccccc1 34a_100000746794_100009813939 [0,1,0,0,0,1|1,0,1]=4 6707 B16R1.688 CCCCCCC(C)NCc1ccccc1 207a_100000210919_100015611070 [0,1,0,0,0,1|2,0,0]=4 6708 B16R1.688 CCCCCCC(C)NCc1ccccc1 2230a_100000210919_100015291786 [0,1,0,0,0,1|2,0,0]=4 6709 B16R1.688 CCCCCCC(C)NCc1ccccc1 2230a_100015324214_100011215978 [0,1,0,0,0,1|2,0,0]=4 6710 B16R1.688 CCCCCCC(C)NCc1ccccc1 270004a_100000210919_100015611070 [0,1,0,0,0,1|2,0,0]=4 6711 B16R1.688 CCCCCCC(C)NCc1ccccc1 270004a_100015324214_100000210826 [0,1,0,0,0,1|2,0,0]=4 6712 B16R1.688 CCCCCCC(C)NCc1ccccc1 34a_100000210919_100015291786 [0,1,0,0,0,1|2,0,0]=4 6713 B16R1.688 CCCCCCC(C)NCc1ccccc1 34a_100015324214_100011215978 [0,1,0,0,0,1|2,0,0]=4 6714 B16R1.688 CCCCCCC(C)OCc1ccccc1 34a_100000210265_100015291786 [0,1,0,0,0,1|2,0,0]=4 6715 B16R1.688 CCCCCCC(C)OCc1ccccc1 34a_100000210790_100011215978 [0,1,0,0,0,1|2,0,0]=4 6716 B16R1.688 CCCCCCC(C)OCc1ccccc1 7a_100000210265_100000211182 [0,1,0,0,0,1|2,0,0]=4 6717 B16R1.688 CCCCCCC(C)OCc1ccccc1 7a_100000210790_100011215978 [0,1,0,0,0,1|2,0,0]=4 6718 B16R1.688 CCCCCCC(C)SCc1ccccc1 62a_100000211182_100011215978 [0,1,0,0,0,1|2,0,0]=4 6719 B16R1.688 CCCCCCC(C)SCc1ccccc1 62a_100011215978_100015291786 [0,1,0,0,0,1|2,0,0]=4 6720 B16R1.688 CCCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210326 [0,1,0,0,0,1|1,0,0]=3 6721 B16R1.688 CCCCCNC(C)CCc1ccccc1 270004a_100000209983_100000210092 [0,1,0,0,0,1|1,0,0]=3 6722 B16R1.688 CCCCCNC(C)CCc1ccccc1 34a_100000210798_100000718602 [0,1,0,0,0,1|1,0,0]=3 6723 B16R1.688 CCCCCNC(C)COc1ccccc1 2230a_100000746794_100000210326 [0,1,0,0,0,1|1,0,0]=3 6724 B16R1.688 CCCCCNC(C)COc1ccccc1 270004a_100000209983_100000150576 [0,1,0,0,0,1|1,0,0]=3 6725 B16R1.688 CCCCCNC(C)COc1ccccc1 34a_100000746794_100000718602 [0,1,0,0,0,1|1,0,0]=3 6726 B16R1.688 CCCCCNC(C)CSc1ccccc1 270004a_100000209983_100000150717 [0,1,0,0,0,1|1,0,0]=3 6727 B16R1.688 CCCCCOC(C)COc1ccccc1 34a_100000210911_100000718602 [0,1,0,0,0,1|2,0,0]=4 6728 B16R1.688 CCCCCOC(C)COc1ccccc1 7a_100000210911_100000210326 [0,1,0,0,0,1|2,0,0]=4 6729 B16R1.688 CCCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000718602 [0,1,0,0,0,1|2,0,0]=4 6730 B16R1.688 CCCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210326 [0,1,0,0,0,1|2,0,0]=4 6731 B16R1.688 CCCCNCC(O)COc1ccccc1 2230a_100000738913_100000210211 [0,1,0,0,0,1|2,0,0]=4 6732 B16R1.688 CCCCNCC(O)COc1ccccc1 34a_100000738913_100000210210 [0,1,0,0,0,1|2,0,0]=4 6733 B16R1.688 CCCCNN=C(C)CCc1ccccc1 4a_100025702795_100000210092 [0,1,0,0,0,1|1,0,1]=4 6734 B16R1.688 CCCCNN=C(C)COc1ccccc1 4a_100025702795_100000150576 [0,1,0,0,0,1|1,0,1]=4 6735 B16R1.688 CCCCNN=C(C)CSc1ccccc1 4a_100025702795_100000150717 [0,1,0,0,0,1|1,0,1]=4 6736 B16R1.688 CCCCOCC(C)OCc1ccccc1 34a_100011217071_100015291786 [0,1,0,0,0,1|2,0,0]=4 6737 B16R1.688 CCCCOCC(C)OCc1ccccc1 7a_100011217071_100000211182 [0,1,0,0,0,1|2,0,0]=4 6738 B16R1.688 CCCCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210210 [0,1,0,0,0,1|2,0,0]=4 6739 B16R1.688 CCCNCCC(C)CCc1ccccc1 269862a_100020643023_200000075208 [0,1,0,0,0,1|2,0,0]=4 6740 B16R1.688 CCOCCNC(C)CCc1ccccc1 2230a_100000210798_100011215890 [0,1,0,0,0,1|1,0,0]=3 6741 B16R1.688 CCOCCNC(C)CCc1ccccc1 270004a_102516460346_100000210092 [0,1,0,0,0,1|1,0,0]=3 6742 B16R1.688 CCOCCNC(C)CCc1ccccc1 34a_100000210798_100000210147 [0,1,0,0,0,1|1,0,0]=3 6743 B16R1.688 CCOCCNC(C)COc1ccccc1 2230a_100000746794_100011215890 [0,1,0,0,0,1|1,0,0]=3 6744 B16R1.688 CCOCCNC(C)COc1ccccc1 270004a_102516460346_100000150576 [0,1,0,0,0,1|1,0,0]=3 6745 B16R1.688 CCOCCNC(C)COc1ccccc1 34a_100000746794_100000210147 [0,1,0,0,0,1|1,0,0]=3 6746 B16R1.688 CCOCCNC(C)COc1ccccc1 34a_200009868044_100000210202 [0,1,0,0,0,1|1,0,0]=3 6747 B16R1.688 CCOCCNC(C)CSc1ccccc1 270004a_102516460346_100000150717 [0,1,0,0,0,1|1,0,0]=3 6748 B16R1.688 CCOCCOC(C)COc1ccccc1 34a_100000210911_100000210147 [0,1,0,0,0,1|2,0,0]=4 6749 B16R1.688 CCOCCOC(C)COc1ccccc1 7a_100000210911_100011215890 [0,1,0,0,0,1|2,0,0]=4 6750 B16R1.688 CCOCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210147 [0,1,0,0,0,1|2,0,0]=4 6751 B16R1.688 CCOCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100011215890 [0,1,0,0,0,1|2,0,0]=4 6752 B16R1.688 CCSCCNC(C)CCc1ccccc1 2230a_100000210798_100000757381 [0,1,0,0,0,1|1,0,0]=3 6753 B16R1.688 CCSCCNC(C)CCc1ccccc1 270004a_100000106463_100000210092 [0,1,0,0,0,1|1,0,0]=3 6754 B16R1.688 CCSCCNC(C)CCc1ccccc1 34a_100000210798_100000757381 [0,1,0,0,0,1|1,0,0]=3 6755 B16R1.688 CCSCCNC(C)COc1ccccc1 2230a_100000746794_100000757381 [0,1,0,0,0,1|1,0,0]=3 6756 B16R1.688 CCSCCNC(C)COc1ccccc1 270004a_100000106463_100000150576 [0,1,0,0,0,1|1,0,0]=3 6757 B16R1.688 CCSCCNC(C)COc1ccccc1 34a_100000746794_100000757381 [0,1,0,0,0,1|1,0,0]=3 6758 B16R1.688 CCSCCNC(C)CSc1ccccc1 270004a_100000106463_100000150717 [0,1,0,0,0,1|1,0,0]=3 6759 B16R1.688 CCSCCOC(C)COc1ccccc1 34a_100000210911_100000757381 [0,1,0,0,0,1|2,0,0]=4 6760 B16R1.688 CCSCCOC(C)COc1ccccc1 7a_100000210911_100000757381 [0,1,0,0,0,1|2,0,0]=4 6761 B16R1.688 CCSCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000757381 [0,1,0,0,0,1|2,0,0]=4 6762 B16R1.688 CCSCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000757381 [0,1,0,0,0,1|2,0,0]=4 6763 B16R1.688 COCCCNC(C)CCc1ccccc1 2230a_100000210798_100000740836 [0,1,0,0,0,1|1,0,0]=3 6764 B16R1.688 COCCCNC(C)CCc1ccccc1 270004a_100150723488_100000210092 [0,1,0,0,0,1|1,0,0]=3 6765 B16R1.688 COCCCNC(C)CCc1ccccc1 34a_100000210798_100000740836 [0,1,0,0,0,1|1,0,0]=3 6766 B16R1.688 COCCCNC(C)COc1ccccc1 2230a_100000746794_100000740836 [0,1,0,0,0,1|1,0,0]=3 6767 B16R1.688 COCCCNC(C)COc1ccccc1 270004a_100150723488_100000150576 [0,1,0,0,0,1|1,0,0]=3 6768 B16R1.688 COCCCNC(C)COc1ccccc1 34a_100000746794_100000740836 [0,1,0,0,0,1|1,0,0]=3 6769 B16R1.688 COCCCNC(C)CSc1ccccc1 270004a_100150723488_100000150717 [0,1,0,0,0,1|1,0,0]=3 6770 B16R1.688 COCCCOC(C)COc1ccccc1 34a_100000210911_100000740836 [0,1,0,0,0,1|2,0,0]=4 6771 B16R1.688 COCCCOC(C)COc1ccccc1 34a_200011103555_200000210301 [0,1,0,0,0,1|2,0,0]=4 6772 B16R1.688 COCCCOC(C)COc1ccccc1 7a_100000210911_100000740836 [0,1,0,0,0,1|2,0,0]=4 6773 B16R1.688 COCCCOC(C)COc1ccccc1 7a_200011103555_200000210301 [0,1,0,0,0,1|2,0,0]=4 6774 B16R1.688 COCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000740836 [0,1,0,0,0,1|2,0,0]=4 6775 B16R1.688 COCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000740836 [0,1,0,0,0,1|2,0,0]=4 6776 B16R1.688 CSCCCNC(C)CCc1ccccc1 270004a_100000749238_100000210092 [0,1,0,0,0,1|1,0,0]=3 6777 B16R1.688 CSCCCNC(C)COc1ccccc1 270004a_100000749238_100000150576 [0,1,0,0,0,1|1,0,0]=3 6778 B16R1.688 CSCCCNC(C)CSc1ccccc1 270004a_100000749238_100000150717 [0,1,0,0,0,1|1,0,0]=3 6779 B16R1.688 C[C@@H](CCc1ccccc1)OCCCC#N 7a_100009815974_100000687738 [0,1,0,0,0,1|2,0,0]=4 6780 B16R1.688 C[C@@H](CCc1ccccc1)OCCCC=O 7a_100009815974_200011292268 [0,1,0,0,0,1|2,0,0]=4 6781 B16R1.688 C[C@@H](CCc1ccccc1)OCCCCF 34a_100009815974_100000729493 [0,1,0,0,0,1|1,1,0]=4 6782 B16R1.688 C[C@@H](CCc1ccccc1)OCCCCF 7a_100009815974_100000729493 [0,1,0,0,0,1|1,1,0]=4 6783 B16R1.688 C[C@@H](CCc1ccccc1)OCCCCO 34a_100009815974_100011216708 [0,1,0,0,0,1|2,0,0]=4 6784 B16R1.688 C[C@@H](CCc1ccccc1)OCCCCO 7a_100009815974_100000210776 [0,1,0,0,0,1|2,0,0]=4 6785 B16R1.688 C[C@H](COCCCF)NCc1ccccc1 34a_100000762708_100011934791 [0,1,0,0,0,1|1,1,0]=4 6786 B16R1.688 C[C@H](COCCCO)NCc1ccccc1 34a_100000762708_100000230001 [0,1,0,0,0,1|2,0,0]=4 6787 B16R1.688 OC(CNCCCF)COc1ccccc1 2230a_100000738913_100011934791 [0,1,0,0,0,1|1,1,0]=4 6788 B16R1.688 OC(CNCCCF)COc1ccccc1 34a_100000738913_100011934791 [0,1,0,0,0,1|1,1,0]=4 6789 B16R1.688 OCCCNCC(O)COc1ccccc1 2230a_100000738913_100000230001 [0,1,0,0,0,1|2,0,0]=4 6790 B16R1.688 OCCCNCC(O)COc1ccccc1 34a_100000738913_100000230001 [0,1,0,0,0,1|2,0,0]=4 6791 B16R1.1216 C=CCCNC(C)C(C)Cc1ccccc1 269862a_100015191253_200011390852 [0,1,0,0,0,1|1,0,1]=4 6792 B16R1.1216 C=CCCNC(C)C(C)Cc1ccccc1 270004a_100015191253_200011390852 [0,1,0,0,0,1|1,0,1]=4 6793 B16R1.1216 C=CCCNC(C)C(C)Oc1ccccc1 270004a_100015191253_100000150574 [0,1,0,0,0,1|1,0,1]=4 6794 B16R1.1216 CC(Cc1ccccc1)C(C)NCCC#N 270004a_100000720768_200011390852 [0,1,0,0,0,1|1,0,1]=4 6795 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCF 269862a_100015189416_200011390852 [0,1,0,0,0,1|0,1,0]=3 6796 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCF 270004a_100015189416_200011390852 [0,1,0,0,0,1|0,1,0]=3 6797 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCO 269862a_100000182051_200011390852 [0,1,0,0,0,1|1,0,0]=3 6798 B16R1.1216 CC(Cc1ccccc1)C(C)NCCCO 270004a_100000182051_200011390852 [0,1,0,0,0,1|1,0,0]=3 6799 B16R1.1216 CC(NCCC#N)C(C)Oc1ccccc1 270004a_100000720768_100000150574 [0,1,0,0,0,1|1,0,1]=4 6800 B16R1.1216 CC(NCCCF)C(=O)Nc1ccccc1 2230a_100000754830_100011934791 [0,1,0,0,0,1|0,1,1]=4 6801 B16R1.1216 CC(NCCCF)C(=O)Nc1ccccc1 2230a_100015189416_100000183986 [0,1,0,0,0,1|0,1,1]=4 6802 B16R1.1216 CC(NCCCF)C(=O)Nc1ccccc1 34a_100000754830_100011934791 [0,1,0,0,0,1|0,1,1]=4 6803 B16R1.1216 CC(NCCCF)C(=O)Nc1ccccc1 34a_100015189416_100000183986 [0,1,0,0,0,1|0,1,1]=4 6804 B16R1.1216 CC(NCCCF)C(C)Oc1ccccc1 270004a_100015189416_100000150574 [0,1,0,0,0,1|0,1,0]=3 6805 B16R1.1216 CC(NCCCO)C(=O)Nc1ccccc1 2230a_100000754830_100000230001 [0,1,0,0,0,1|1,0,1]=4 6806 B16R1.1216 CC(NCCCO)C(=O)Nc1ccccc1 34a_100000754830_100000230001 [0,1,0,0,0,1|1,0,1]=4 6807 B16R1.1216 CC(NCCCO)C(C)Oc1ccccc1 270004a_100000182051_100000150574 [0,1,0,0,0,1|1,0,0]=3 6808 B16R1.1216 CC(OCCCCl)C(=O)Nc1ccccc1 34a_100000230001_100000183986 [0,1,0,0,0,1|1,0,1]=4 6809 B16R1.1216 CCCCCC(C)C(=O)Cc1ccccc1 1458a_100011215998_100015291786 [0,1,0,0,0,1|2,0,0]=4 6810 B16R1.1216 CCCCCC(C)N(C)Cc1ccccc1 2230a_100000186898_200011218191 [0,1,0,0,0,1|2,0,0]=4 6811 B16R1.1216 CCCCCC(C)N(C)Cc1ccccc1 269982a_100000186898_200011218191 [0,1,0,0,0,1|2,0,0]=4 6812 B16R1.1216 CCCCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000211708 [0,1,0,0,0,1|2,0,0]=4 6813 B16R1.1216 CCCCNC(C)C(=O)Nc1ccccc1 2230a_100000102301_100000183986 [0,1,0,0,0,1|1,0,1]=4 6814 B16R1.1216 CCCCNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000210211 [0,1,0,0,0,1|1,0,1]=4 6815 B16R1.1216 CCCCNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000210210 [0,1,0,0,0,1|1,0,1]=4 6816 B16R1.1216 CCCCNC(C)C(=O)Nc1ccccc1 7a_106832991798_100000183986 [0,1,0,0,0,1|1,0,1]=4 6817 B16R1.1216 CCCCNC(C)C(C)Cc1ccccc1 269862a_100000102301_200011390852 [0,1,0,0,0,1|1,0,0]=3 6818 B16R1.1216 CCCCNC(C)C(C)Cc1ccccc1 270004a_100000102301_200011390852 [0,1,0,0,0,1|1,0,0]=3 6819 B16R1.1216 CCCCNC(C)C(C)Oc1ccccc1 270004a_100000102301_100000150574 [0,1,0,0,0,1|1,0,0]=3 6820 B16R1.1216 CCCCSC(C)C(=O)Cc1ccccc1 1458a_100000191163_100015291786 [0,1,0,0,0,1|2,0,0]=4 6821 B16R1.1216 COCCNC(C)C(C)Cc1ccccc1 269862a_100000209980_200011390852 [0,1,0,0,0,1|2,0,0]=4 6822 B16R1.1216 COCCNC(C)C(C)Cc1ccccc1 270004a_100000209980_200011390852 [0,1,0,0,0,1|2,0,0]=4 6823 B16R1.1216 COCCNC(C)C(C)Oc1ccccc1 270004a_100000209980_100000150574 [0,1,0,0,0,1|2,0,0]=4 6824 B16R1.1216 CSCCNC(C)C(C)Cc1ccccc1 269862a_100020590264_200011390852 [0,1,0,0,0,1|2,0,0]=4 6825 B16R1.1216 CSCCNC(C)C(C)Cc1ccccc1 270004a_100020590264_200011390852 [0,1,0,0,0,1|2,0,0]=4 6826 B16R1.1216 CSCCNC(C)C(C)Oc1ccccc1 270004a_100020590264_100000150574 [0,1,0,0,0,1|2,0,0]=4 6827 B16R1.1343 C=CC(O)CNC(C)CCc1ccccc1 2230a_100000210798_100000730141 [0,1,0,0,0,1|1,0,1]=4 6828 B16R1.1343 C=CC(O)CNC(C)CCc1ccccc1 34a_100000210798_100000730141 [0,1,0,0,0,1|1,0,1]=4 6829 B16R1.1343 C=CC(O)CNC(C)COc1ccccc1 2230a_100000746794_100000730141 [0,1,0,0,0,1|1,0,1]=4 6830 B16R1.1343 C=CC(O)CNC(C)COc1ccccc1 34a_100000746794_100000730141 [0,1,0,0,0,1|1,0,1]=4 6831 B16R1.1343 CC(CCc1ccccc1)NCC(O)CO 2230a_100000210798_100011219619 [0,1,0,0,0,1|1,0,0]=3 6832 B16R1.1343 CC(CCc1ccccc1)NCC(O)CO 34a_100000210798_100011219619 [0,1,0,0,0,1|1,0,0]=3 6833 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](C)CO 2230a_100000210798_100000059175 [0,1,0,0,0,1|1,0,0]=3 6834 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](C)CO 34a_100000210798_100000059175 [0,1,0,0,0,1|1,0,0]=3 6835 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000210092 [0,1,0,0,0,1|1,0,0]=3 6836 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CF 2230a_100000210798_100015614560 [0,1,0,0,0,1|0,1,0]=3 6837 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CF 34a_100000210798_100015614560 [0,1,0,0,0,1|0,1,0]=3 6838 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CO 2230a_100000210798_100009815848 [0,1,0,0,0,1|1,0,0]=3 6839 B16R1.1343 CC(CCc1ccccc1)NC[C@@H](O)CO 34a_100000210798_100009815848 [0,1,0,0,0,1|1,0,0]=3 6840 B16R1.1343 CC(COc1ccccc1)NCC(O)CO 2230a_100000746794_100011219619 [0,1,0,0,0,1|1,0,0]=3 6841 B16R1.1343 CC(COc1ccccc1)NCC(O)CO 34a_100000746794_100011219619 [0,1,0,0,0,1|1,0,0]=3 6842 B16R1.1343 CC(COc1ccccc1)NC[C@@H](C)CO 2230a_100000746794_100000059175 [0,1,0,0,0,1|1,0,0]=3 6843 B16R1.1343 CC(COc1ccccc1)NC[C@@H](C)CO 34a_100000746794_100000059175 [0,1,0,0,0,1|1,0,0]=3 6844 B16R1.1343 CC(COc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000150576 [0,1,0,0,0,1|1,0,0]=3 6845 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CF 2230a_100000746794_100015614560 [0,1,0,0,0,1|0,1,0]=3 6846 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CF 34a_100000746794_100015614560 [0,1,0,0,0,1|0,1,0]=3 6847 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CO 2230a_100000746794_100009815848 [0,1,0,0,0,1|1,0,0]=3 6848 B16R1.1343 CC(COc1ccccc1)NC[C@@H](O)CO 34a_100000746794_100009815848 [0,1,0,0,0,1|1,0,0]=3 6849 B16R1.1343 CC(COc1ccccc1)OCC(O)CO 34a_100000210911_100011219619 [0,1,0,0,0,1|2,0,0]=4 6850 B16R1.1343 CC(COc1ccccc1)OCC(O)CO 7a_100000210911_100011219619 [0,1,0,0,0,1|2,0,0]=4 6851 B16R1.1343 CC(COc1ccccc1)OC[C@@H](C)CO 34a_100000210911_100000059175 [0,1,0,0,0,1|2,0,0]=4 6852 B16R1.1343 CC(COc1ccccc1)OC[C@@H](C)CO 7a_100000210911_100000059175 [0,1,0,0,0,1|2,0,0]=4 6853 B16R1.1343 CC(COc1ccccc1)OC[C@@H](O)CF 34a_100000210911_100015614560 [0,1,0,0,0,1|1,1,0]=4 6854 B16R1.1343 CC(COc1ccccc1)OC[C@@H](O)CF 7a_100000210911_100015614560 [0,1,0,0,0,1|1,1,0]=4 6855 B16R1.1343 CC(COc1ccccc1)OC[C@@H](O)CO 34a_100000210911_100009815848 [0,1,0,0,0,1|2,0,0]=4 6856 B16R1.1343 CC(COc1ccccc1)OC[C@@H](O)CO 7a_100000210911_100009815848 [0,1,0,0,0,1|2,0,0]=4 6857 B16R1.1343 CC(CSc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000150717 [0,1,0,0,0,1|1,0,0]=3 6858 B16R1.1343 CCC(C)CCC(C)OCc1ccccc1 7a_200011216552_100000211182 [0,1,0,0,0,1|2,0,0]=4 6859 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 2230a_100000210798_100000748023 [0,1,0,0,0,1|1,0,0]=3 6860 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 270004a_100000210798_100000243153 [0,1,0,0,0,1|1,0,0]=3 6861 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 270004a_100020588543_100000210092 [0,1,0,0,0,1|1,0,0]=3 6862 B16R1.1343 CCC(C)CNC(C)CCc1ccccc1 34a_100000210798_100000748023 [0,1,0,0,0,1|1,0,0]=3 6863 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 2230a_100000746794_100000748023 [0,1,0,0,0,1|1,0,0]=3 6864 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 270004a_100000746794_100000243153 [0,1,0,0,0,1|1,0,0]=3 6865 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 270004a_100020588543_100000150576 [0,1,0,0,0,1|1,0,0]=3 6866 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 34a_100000746794_100000748023 [0,1,0,0,0,1|1,0,0]=3 6867 B16R1.1343 CCC(C)CNC(C)CSc1ccccc1 270004a_100020588543_100000150717 [0,1,0,0,0,1|1,0,0]=3 6868 B16R1.1343 CCC(C)COC(C)COc1ccccc1 34a_100000210911_100000748023 [0,1,0,0,0,1|2,0,0]=4 6869 B16R1.1343 CCC(C)COC(C)COc1ccccc1 7a_100000210911_100000748023 [0,1,0,0,0,1|2,0,0]=4 6870 B16R1.1343 CCC(C)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000748023 [0,1,0,0,0,1|2,0,0]=4 6871 B16R1.1343 CCC(C)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000748023 [0,1,0,0,0,1|2,0,0]=4 6872 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 2230a_100000210798_100011218378 [0,1,0,0,0,1|1,0,0]=3 6873 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 270004a_100011218483_100000210092 [0,1,0,0,0,1|1,0,0]=3 6874 B16R1.1343 CCC(O)CNC(C)CCc1ccccc1 34a_100000210798_100011218378 [0,1,0,0,0,1|1,0,0]=3 6875 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 2230a_100000746794_100011218378 [0,1,0,0,0,1|1,0,0]=3 6876 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 270004a_100011218483_100000150576 [0,1,0,0,0,1|1,0,0]=3 6877 B16R1.1343 CCC(O)CNC(C)COc1ccccc1 34a_100000746794_100011218378 [0,1,0,0,0,1|1,0,0]=3 6878 B16R1.1343 CCC(O)CNC(C)CSc1ccccc1 270004a_100011218483_100000150717 [0,1,0,0,0,1|1,0,0]=3 6879 B16R1.1343 CCC(O)COC(C)COc1ccccc1 34a_100000210911_100011218378 [0,1,0,0,0,1|2,0,0]=4 6880 B16R1.1343 CCC(O)COC(C)COc1ccccc1 7a_100000210911_100011218378 [0,1,0,0,0,1|2,0,0]=4 6881 B16R1.1343 CCC(O)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100011218378 [0,1,0,0,0,1|2,0,0]=4 6882 B16R1.1343 CCC(O)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100011218378 [0,1,0,0,0,1|2,0,0]=4 6883 B16R1.1343 CC[C@H](C)CNC(C)CCc1ccccc1 2230a_100000210798_100009816398 [0,1,0,0,0,1|1,0,0]=3 6884 B16R1.1343 CC[C@H](C)CNC(C)CCc1ccccc1 34a_100000210798_100009816398 [0,1,0,0,0,1|1,0,0]=3 6885 B16R1.1343 CC[C@H](C)CNC(C)COc1ccccc1 2230a_100000746794_100009816398 [0,1,0,0,0,1|1,0,0]=3 6886 B16R1.1343 CC[C@H](C)CNC(C)COc1ccccc1 34a_100000746794_100009816398 [0,1,0,0,0,1|1,0,0]=3 6887 B16R1.1343 CC[C@H](C)COC(C)COc1ccccc1 34a_100000210911_100009816398 [0,1,0,0,0,1|2,0,0]=4 6888 B16R1.1343 CC[C@H](C)COC(C)COc1ccccc1 7a_100000210911_100009816398 [0,1,0,0,0,1|2,0,0]=4 6889 B16R1.1343 CC[C@H](C)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100009816398 [0,1,0,0,0,1|2,0,0]=4 6890 B16R1.1343 CC[C@H](C)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100009816398 [0,1,0,0,0,1|2,0,0]=4 6891 B16R1.1343 CO[C@H](C)CNC(C)CCc1ccccc1 270004a_100020591295_100000210092 [0,1,0,0,0,1|2,0,0]=4 6892 B16R1.1343 CO[C@H](C)CNC(C)COc1ccccc1 270004a_100020591295_100000150576 [0,1,0,0,0,1|2,0,0]=4 6893 B16R1.1343 CO[C@H](C)CNC(C)CSc1ccccc1 270004a_100020591295_100000150717 [0,1,0,0,0,1|2,0,0]=4 6894 B16R1.1343 C[C@@H](CCc1ccccc1)OCC(O)CO 34a_100009815974_100011219619 [0,1,0,0,0,1|2,0,0]=4 6895 B16R1.1343 C[C@@H](CCc1ccccc1)OCC(O)CO 7a_100009815974_100011219619 [0,1,0,0,0,1|2,0,0]=4 6896 B16R1.1343 C[C@@H](CCc1ccccc1)OC[C@@H](O)CF 34a_100009815974_100015614560 [0,1,0,0,0,1|1,1,0]=4 6897 B16R1.1343 C[C@@H](CCc1ccccc1)OC[C@@H](O)CF 7a_100009815974_100015614560 [0,1,0,0,0,1|1,1,0]=4 6898 B16R1.1343 C[C@@H](CCc1ccccc1)OC[C@@H](O)CO 34a_100009815974_100009815848 [0,1,0,0,0,1|2,0,0]=4 6899 B16R1.1343 C[C@@H](CCc1ccccc1)OC[C@@H](O)CO 7a_100009815974_100009815848 [0,1,0,0,0,1|2,0,0]=4 6900 B16R1.1343 C[C@@H](CO)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000059175 [0,1,0,0,0,1|2,0,0]=4 6901 B16R1.1343 C[C@@H](CO)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000059175 [0,1,0,0,0,1|2,0,0]=4 6902 B16R1.1516 C=CCCN(C)C(C)CCc1ccccc1 270004a_100020639649_100000210092 [0,1,0,0,0,1|1,0,1]=4 6903 B16R1.1516 C=CCCN(C)C(C)COc1ccccc1 270004a_100020639649_100000150576 [0,1,0,0,0,1|1,0,1]=4 6904 B16R1.1516 C=CCCN(C)C(C)CSc1ccccc1 270004a_100020639649_100000150717 [0,1,0,0,0,1|1,0,1]=4 6905 B16R1.1516 CC(CCc1ccccc1)C(=O)CCCF 1458a_100011435293_100011934791 [0,1,0,0,0,1|1,1,0]=4 6906 B16R1.1516 CC(CCc1ccccc1)C(=O)CCCO 1458a_100011435293_100011215043 [0,1,0,0,0,1|2,0,0]=4 6907 B16R1.1516 CC(CCc1ccccc1)N(C)CCC#N 270004a_100000184479_100000210092 [0,1,0,0,0,1|1,0,1]=4 6908 B16R1.1516 CC(CCc1ccccc1)N(C)CCCO 270004a_100000213112_100000210092 [0,1,0,0,0,1|1,0,0]=3 6909 B16R1.1516 CC(COc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150576 [0,1,0,0,0,1|1,0,1]=4 6910 B16R1.1516 CC(COc1ccccc1)N(C)CCCO 270004a_100000213112_100000150576 [0,1,0,0,0,1|1,0,0]=3 6911 B16R1.1516 CC(CSc1ccccc1)N(C)CCC#N 270004a_100000184479_100000150717 [0,1,0,0,0,1|1,0,1]=4 6912 B16R1.1516 CC(CSc1ccccc1)N(C)CCCO 270004a_100000213112_100000150717 [0,1,0,0,0,1|1,0,0]=3 6913 B16R1.1516 CC(SCc1ccccc1)C(=O)CCCF 1458a_100000149570_100011934791 [0,1,0,0,0,1|1,1,0]=4 6914 B16R1.1516 CC(SCc1ccccc1)C(=O)CCCO 1458a_100000149570_100011215043 [0,1,0,0,0,1|2,0,0]=4 6915 B16R1.1516 CCCCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210211 [0,1,0,0,0,1|2,0,0]=4 6916 B16R1.1516 CCCCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000210211 [0,1,0,0,0,1|2,0,0]=4 6917 B16R1.1516 CCCCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000210211 [0,1,0,0,0,1|2,0,0]=4 6918 B16R1.1516 CCCCN(C)C(C)CCc1ccccc1 270004a_100000207549_100000210092 [0,1,0,0,0,1|1,0,0]=3 6919 B16R1.1516 CCCCN(C)C(C)COc1ccccc1 270004a_100000207549_100000150576 [0,1,0,0,0,1|1,0,0]=3 6920 B16R1.1516 CCCCN(C)C(C)CSc1ccccc1 270004a_100000207549_100000150717 [0,1,0,0,0,1|1,0,0]=3 6921 B16R1.1516 COCCN(C)C(C)CCc1ccccc1 270004a_100000743101_100000210092 [0,1,0,0,0,1|2,0,0]=4 6922 B16R1.1516 COCCN(C)C(C)COc1ccccc1 270004a_100000743101_100000150576 [0,1,0,0,0,1|2,0,0]=4 6923 B16R1.1516 COCCN(C)C(C)CSc1ccccc1 270004a_100000743101_100000150717 [0,1,0,0,0,1|2,0,0]=4 6924 B16R1.1516 CSCCN(C)C(C)CCc1ccccc1 270004a_100000686725_100000210092 [0,1,0,0,0,1|2,0,0]=4 6925 B16R1.1516 CSCCN(C)C(C)COc1ccccc1 270004a_100000686725_100000150576 [0,1,0,0,0,1|2,0,0]=4 6926 B16R1.1516 CSCCN(C)C(C)CSc1ccccc1 270004a_100000686725_100000150717 [0,1,0,0,0,1|2,0,0]=4 6927 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)CCCF 1458a_100000703211_100011934791 [0,1,0,0,0,1|1,1,0]=4 6928 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)CCCO 1458a_100000703211_100011215043 [0,1,0,0,0,1|2,0,0]=4 6929 B16R1.1570 CC(CC#N)NC(C)CCc1ccccc1 2230a_100000210798_100009813641 [0,1,0,0,0,1|1,0,1]=4 6930 B16R1.1570 CC(CC#N)NC(C)COc1ccccc1 2230a_100000746794_100009813641 [0,1,0,0,0,1|1,0,1]=4 6931 B16R1.1570 CC(CCO)NC(C)CCc1ccccc1 2230a_100000210798_100009893172 [0,1,0,0,0,1|1,0,0]=3 6932 B16R1.1570 CC(CCO)NC(C)CCc1ccccc1 34a_100000210798_100009893172 [0,1,0,0,0,1|1,0,0]=3 6933 B16R1.1570 CC(CCO)NC(C)COc1ccccc1 2230a_100000746794_100009893172 [0,1,0,0,0,1|1,0,0]=3 6934 B16R1.1570 CC(CCO)NC(C)COc1ccccc1 34a_100000746794_100009893172 [0,1,0,0,0,1|1,0,0]=3 6935 B16R1.1570 CC(CCO)OC(C)COc1ccccc1 34a_100000210911_100009893172 [0,1,0,0,0,1|2,0,0]=4 6936 B16R1.1570 CC(CCO)OC(C)COc1ccccc1 7a_100000210911_100009893172 [0,1,0,0,0,1|2,0,0]=4 6937 B16R1.1570 CC(CCO)O[C@@H](C)CCc1ccccc1 34a_100009815974_100009893172 [0,1,0,0,0,1|2,0,0]=4 6938 B16R1.1570 CC(CCO)O[C@@H](C)CCc1ccccc1 7a_100009815974_100009893172 [0,1,0,0,0,1|2,0,0]=4 6939 B16R1.1570 CC(CCc1ccccc1)NC(=O)CCO 240690a_100000210798_100011216618 [0,1,0,0,0,1|1,0,1]=4 6940 B16R1.1570 CC(CCc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000210092 [0,1,0,0,0,1|1,0,0]=3 6941 B16R1.1570 CC(COc1ccccc1)NC(=O)CCO 240690a_100000746794_100011216618 [0,1,0,0,0,1|1,0,1]=4 6942 B16R1.1570 CC(COc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000150576 [0,1,0,0,0,1|1,0,0]=3 6943 B16R1.1570 CC(CSc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000150717 [0,1,0,0,0,1|1,0,0]=3 6944 B16R1.1570 CCCC(=O)NC(C)CCc1ccccc1 11a_100000210798_100000211992 [0,1,0,0,0,1|1,0,1]=4 6945 B16R1.1570 CCCC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100000211992 [0,1,0,0,0,1|1,0,1]=4 6946 B16R1.1570 CCCC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100000211992 [0,1,0,0,0,1|1,0,1]=4 6947 B16R1.1570 CCCC(=O)NC(C)CCc1ccccc1 527a_100000210798_100000211992 [0,1,0,0,0,1|1,0,1]=4 6948 B16R1.1570 CCCC(=O)NC(C)COc1ccccc1 11a_100000746794_100000211992 [0,1,0,0,0,1|1,0,1]=4 6949 B16R1.1570 CCCC(=O)NC(C)COc1ccccc1 1626a_100000746794_100000211992 [0,1,0,0,0,1|1,0,1]=4 6950 B16R1.1570 CCCC(=O)NC(C)COc1ccccc1 240690a_100000746794_100000211992 [0,1,0,0,0,1|1,0,1]=4 6951 B16R1.1570 CCCC(=O)NC(C)COc1ccccc1 527a_100000746794_100000211992 [0,1,0,0,0,1|1,0,1]=4 6952 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000766640 [0,1,0,0,0,1|1,0,0]=3 6953 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100000211909 [0,1,0,0,0,1|1,0,0]=3 6954 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 270004a_100000741246_100000210092 [0,1,0,0,0,1|1,0,0]=3 6955 B16R1.1570 CCCC(C)NC(C)CCc1ccccc1 34a_100000210798_100000766640 [0,1,0,0,0,1|1,0,0]=3 6956 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000766640 [0,1,0,0,0,1|1,0,0]=3 6957 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 270004a_100000741246_100000150576 [0,1,0,0,0,1|1,0,0]=3 6958 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 270004a_100000746794_100000211909 [0,1,0,0,0,1|1,0,0]=3 6959 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 34a_100000746794_100000766640 [0,1,0,0,0,1|1,0,0]=3 6960 B16R1.1570 CCCC(C)NC(C)CSc1ccccc1 270004a_100000741246_100000150717 [0,1,0,0,0,1|1,0,0]=3 6961 B16R1.1570 CCCC(C)OC(C)COc1ccccc1 34a_100000210911_100000766640 [0,1,0,0,0,1|2,0,0]=4 6962 B16R1.1570 CCCC(C)OC(C)COc1ccccc1 7a_100000210911_100000766640 [0,1,0,0,0,1|2,0,0]=4 6963 B16R1.1570 CCCC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100000766640 [0,1,0,0,0,1|2,0,0]=4 6964 B16R1.1570 CCCC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000766640 [0,1,0,0,0,1|2,0,0]=4 6965 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000765312 [0,1,0,0,0,1|2,0,0]=4 6966 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100000749346 [0,1,0,0,0,1|2,0,0]=4 6967 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 34a_100000210798_100000765312 [0,1,0,0,0,1|2,0,0]=4 6968 B16R1.1570 COCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000765312 [0,1,0,0,0,1|2,0,0]=4 6969 B16R1.1570 COCC(C)NC(C)COc1ccccc1 270004a_100000746794_100000749346 [0,1,0,0,0,1|2,0,0]=4 6970 B16R1.1570 COCC(C)NC(C)COc1ccccc1 34a_100000746794_100000765312 [0,1,0,0,0,1|2,0,0]=4 6971 B16R1.1570 COC[C@@H](C)NC(C)CCc1ccccc1 270004a_100000764878_100000210092 [0,1,0,0,0,1|2,0,0]=4 6972 B16R1.1570 COC[C@@H](C)NC(C)COc1ccccc1 270004a_100000764878_100000150576 [0,1,0,0,0,1|2,0,0]=4 6973 B16R1.1570 COC[C@@H](C)NC(C)CSc1ccccc1 270004a_100000764878_100000150717 [0,1,0,0,0,1|2,0,0]=4 6974 B16R1.1570 CSCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100011216314 [0,1,0,0,0,1|2,0,0]=4 6975 B16R1.1570 CSCC(C)NC(C)COc1ccccc1 270004a_100000746794_100011216314 [0,1,0,0,0,1|2,0,0]=4 6976 B16R1.1696 C#CCCNC(C)COc1ccccc1C 2230a_100000744241_100000688953 [0,1,0,0,0,1|1,0,1]=4 6977 B16R1.1696 C#CCCNC(C)COc1ccccc1C 34a_100000744241_100000688953 [0,1,0,0,0,1|1,0,1]=4 6978 B16R1.1696 C=CCCNC(C)COc1ccccc1C 2230a_100000744241_100000754431 [0,1,0,0,0,1|1,0,1]=4 6979 B16R1.1696 C=CCCNC(C)COc1ccccc1C 34a_100000744241_100000754431 [0,1,0,0,0,1|1,0,1]=4 6980 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 207a_100000211957_100000211189 [0,1,0,0,0,1|2,0,0]=4 6981 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 2230a_100000211957_100000184730 [0,1,0,0,0,1|2,0,0]=4 6982 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 2230a_100000689332_200011218191 [0,1,0,0,0,1|2,0,0]=4 6983 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 270004a_100000211957_100000211189 [0,1,0,0,0,1|2,0,0]=4 6984 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 270004a_100000689332_100000211708 [0,1,0,0,0,1|2,0,0]=4 6985 B16R1.1696 CCCCCC(C)NCc1ccccc1Br 34a_100000689332_200011218191 [0,1,0,0,0,1|2,0,0]=4 6986 B16R1.1696 CCCCCC(C)NCc1ccccc1C 207a_100000211957_100000211143 [0,1,0,0,0,1|2,0,0]=4 6987 B16R1.1696 CCCCCC(C)NCc1ccccc1C 2230a_100000211957_100000211839 [0,1,0,0,0,1|2,0,0]=4 6988 B16R1.1696 CCCCCC(C)NCc1ccccc1C 270004a_100000174972_100000211708 [0,1,0,0,0,1|2,0,0]=4 6989 B16R1.1696 CCCCCC(C)NCc1ccccc1C 270004a_100000211957_100000211143 [0,1,0,0,0,1|2,0,0]=4 6990 B16R1.1696 CCCCCC(C)NCc1ccccc1C 34a_100000174972_200011218191 [0,1,0,0,0,1|2,0,0]=4 6991 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 207a_100000211957_100000210073 [0,1,0,0,0,1|2,0,0]=4 6992 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 2230a_100000174879_200011218191 [0,1,0,0,0,1|2,0,0]=4 6993 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 2230a_100000211957_100000187162 [0,1,0,0,0,1|2,0,0]=4 6994 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 270004a_100000174879_100000211708 [0,1,0,0,0,1|2,0,0]=4 6995 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 270004a_100000211957_100000210073 [0,1,0,0,0,1|2,0,0]=4 6996 B16R1.1696 CCCCCC(C)NCc1ccccc1Cl 34a_100000174879_200011218191 [0,1,0,0,0,1|2,0,0]=4 6997 B16R1.1696 CCCCCC(C)NCc1ccccc1F 207a_100000211957_100000210811 [0,1,0,0,0,1|2,0,0]=4 6998 B16R1.1696 CCCCCC(C)NCc1ccccc1F 2230a_100000211957_100000211605 [0,1,0,0,0,1|2,0,0]=4 6999 B16R1.1696 CCCCCC(C)NCc1ccccc1F 270004a_100000174869_100000211708 [0,1,0,0,0,1|2,0,0]=4 7000 B16R1.1696 CCCCCC(C)NCc1ccccc1F 270004a_100000211957_100000210811 [0,1,0,0,0,1|2,0,0]=4 7001 B16R1.1696 CCCCCC(C)NCc1ccccc1F 34a_100000174869_200011218191 [0,1,0,0,0,1|2,0,0]=4 7002 B16R1.1696 CCCCCC(C)NCc1ccccc1I 207a_100000211957_100000010305 [0,1,0,0,0,1|2,0,0]=4 7003 B16R1.1696 CCCCCC(C)NCc1ccccc1I 2230a_100000211957_100011215278 [0,1,0,0,0,1|2,0,0]=4 7004 B16R1.1696 CCCCCC(C)NCc1ccccc1I 270004a_100000211957_100000010305 [0,1,0,0,0,1|2,0,0]=4 7005 B16R1.1696 CCCCCC(C)NCc1ccccc1I 270004a_100015347259_100000211708 [0,1,0,0,0,1|2,0,0]=4 7006 B16R1.1696 CCCCCC(C)NCc1ccccc1O 270004a_100000185550_100000211708 [0,1,0,0,0,1|2,0,0]=4 7007 B16R1.1696 CCCCCC(C)NCc1ccccc1O 34a_100000185550_200011218191 [0,1,0,0,0,1|2,0,0]=4 7008 B16R1.1696 CCCCCC(C)OCc1ccccc1Br 34a_100000756307_200011218191 [0,1,0,0,0,1|2,0,0]=4 7009 B16R1.1696 CCCCCC(C)OCc1ccccc1Br 34a_100011215632_100000184730 [0,1,0,0,0,1|2,0,0]=4 7010 B16R1.1696 CCCCCC(C)OCc1ccccc1Br 7a_100000756307_200011218191 [0,1,0,0,0,1|2,0,0]=4 7011 B16R1.1696 CCCCCC(C)OCc1ccccc1Br 7a_100011215632_100000184730 [0,1,0,0,0,1|2,0,0]=4 7012 B16R1.1696 CCCCCC(C)OCc1ccccc1C 34a_100000698903_200011218191 [0,1,0,0,0,1|2,0,0]=4 7013 B16R1.1696 CCCCCC(C)OCc1ccccc1C 34a_100011215632_100000211839 [0,1,0,0,0,1|2,0,0]=4 7014 B16R1.1696 CCCCCC(C)OCc1ccccc1C 7a_100000698903_200011218191 [0,1,0,0,0,1|2,0,0]=4 7015 B16R1.1696 CCCCCC(C)OCc1ccccc1C 7a_100011215632_100000211839 [0,1,0,0,0,1|2,0,0]=4 7016 B16R1.1696 CCCCCC(C)OCc1ccccc1Cl 34a_100000210847_200011218191 [0,1,0,0,0,1|2,0,0]=4 7017 B16R1.1696 CCCCCC(C)OCc1ccccc1Cl 34a_100011215632_100000187162 [0,1,0,0,0,1|2,0,0]=4 7018 B16R1.1696 CCCCCC(C)OCc1ccccc1Cl 7a_100000210847_200011218191 [0,1,0,0,0,1|2,0,0]=4 7019 B16R1.1696 CCCCCC(C)OCc1ccccc1Cl 7a_100011215632_100000187162 [0,1,0,0,0,1|2,0,0]=4 7020 B16R1.1696 CCCCCC(C)OCc1ccccc1F 34a_100000211962_200011218191 [0,1,0,0,0,1|2,0,0]=4 7021 B16R1.1696 CCCCCC(C)OCc1ccccc1F 34a_100011215632_100000211605 [0,1,0,0,0,1|2,0,0]=4 7022 B16R1.1696 CCCCCC(C)OCc1ccccc1F 7a_100000211962_200011218191 [0,1,0,0,0,1|2,0,0]=4 7023 B16R1.1696 CCCCCC(C)OCc1ccccc1F 7a_100011215632_100000211605 [0,1,0,0,0,1|2,0,0]=4 7024 B16R1.1696 CCCCCC(C)OCc1ccccc1I 34a_100000187465_200011218191 [0,1,0,0,0,1|2,0,0]=4 7025 B16R1.1696 CCCCCC(C)OCc1ccccc1I 34a_100011215632_100011215278 [0,1,0,0,0,1|2,0,0]=4 7026 B16R1.1696 CCCCCC(C)OCc1ccccc1I 7a_100000187465_200011218191 [0,1,0,0,0,1|2,0,0]=4 7027 B16R1.1696 CCCCCC(C)OCc1ccccc1I 7a_100011215632_100011215278 [0,1,0,0,0,1|2,0,0]=4 7028 B16R1.1696 CCCCCC(C)OCc1ccccc1N 34a_100000212039_200011218191 [0,1,0,0,0,1|2,0,0]=4 7029 B16R1.1696 CCCCCC(C)SCc1ccccc1Br 62a_100000184730_200011218191 [0,1,0,0,0,1|2,0,0]=4 7030 B16R1.1696 CCCCCC(C)SCc1ccccc1Br 62a_200011218191_100000184730 [0,1,0,0,0,1|2,0,0]=4 7031 B16R1.1696 CCCCCC(C)SCc1ccccc1C 62a_100000211839_200011218191 [0,1,0,0,0,1|2,0,0]=4 7032 B16R1.1696 CCCCCC(C)SCc1ccccc1C 62a_200011218191_100000211839 [0,1,0,0,0,1|2,0,0]=4 7033 B16R1.1696 CCCCCC(C)SCc1ccccc1Cl 62a_100000187162_200011218191 [0,1,0,0,0,1|2,0,0]=4 7034 B16R1.1696 CCCCCC(C)SCc1ccccc1Cl 62a_200011218191_100000187162 [0,1,0,0,0,1|2,0,0]=4 7035 B16R1.1696 CCCCCC(C)SCc1ccccc1F 62a_100000211605_200011218191 [0,1,0,0,0,1|2,0,0]=4 7036 B16R1.1696 CCCCCC(C)SCc1ccccc1F 62a_200011218191_100000211605 [0,1,0,0,0,1|2,0,0]=4 7037 B16R1.1696 CCCCCC(C)SCc1ccccc1I 62a_100011216222_200011218191 [0,1,0,0,0,1|2,0,0]=4 7038 B16R1.1696 CCCCCC(C)SCc1ccccc1I 62a_200011218191_100011216222 [0,1,0,0,0,1|2,0,0]=4 7039 B16R1.1696 CCCCNC(C)COc1ccccc1C 2230a_100000744241_100000210211 [0,1,0,0,0,1|1,0,0]=3 7040 B16R1.1696 CCCCNC(C)COc1ccccc1C 34a_100000744241_100000210210 [0,1,0,0,0,1|1,0,0]=3 7041 B16R1.1696 CCCCOC(C)COc1ccccc1C 34a_200011217337_100000210210 [0,1,0,0,0,1|2,0,0]=4 7042 B16R1.1696 CCCCOC(C)COc1ccccc1C 7a_200011217337_100000210211 [0,1,0,0,0,1|2,0,0]=4 7043 B16R1.1696 COCCNC(C)COc1ccccc1C 2230a_100000744241_100011201679 [0,1,0,0,0,1|2,0,0]=4 7044 B16R1.1696 COCCNC(C)COc1ccccc1C 34a_100000744241_100011201679 [0,1,0,0,0,1|2,0,0]=4 7045 B16R1.1696 CSCCNC(C)COc1ccccc1C 2230a_100000744241_100000751147 [0,1,0,0,0,1|2,0,0]=4 7046 B16R1.1696 CSCCNC(C)COc1ccccc1C 34a_100000744241_100000212216 [0,1,0,0,0,1|2,0,0]=4 7047 B16R1.1696 Cc1ccccc1OCC(C)NCCC#N 2230a_100000744241_100011215226 [0,1,0,0,0,1|1,0,1]=4 7048 B16R1.1696 Cc1ccccc1OCC(C)NCCCF 2230a_100000744241_100011934791 [0,1,0,0,0,1|0,1,0]=3 7049 B16R1.1696 Cc1ccccc1OCC(C)NCCCF 34a_100000744241_100011934791 [0,1,0,0,0,1|0,1,0]=3 7050 B16R1.1696 Cc1ccccc1OCC(C)NCCCO 2230a_100000744241_100000230001 [0,1,0,0,0,1|1,0,0]=3 7051 B16R1.1696 Cc1ccccc1OCC(C)NCCCO 34a_100000744241_100000230001 [0,1,0,0,0,1|1,0,0]=3 7052 B16R1.1696 Cc1ccccc1OCC(C)OCCCF 34a_200011217337_100011934791 [0,1,0,0,0,1|1,1,0]=4 7053 B16R1.1696 Cc1ccccc1OCC(C)OCCCF 7a_200011217337_100011934791 [0,1,0,0,0,1|1,1,0]=4 7054 B16R1.1696 Cc1ccccc1OCC(C)OCCCO 34a_200011217337_100000230001 [0,1,0,0,0,1|2,0,0]=4 7055 B16R1.1696 Cc1ccccc1OCC(C)OCCCO 7a_200011217337_100011215043 [0,1,0,0,0,1|2,0,0]=4 7056 B16R1.1758 C=CCCNC(CC)CCc1ccccc1 270004a_100015191253_100011279265 [0,1,0,0,0,1|1,0,1]=4 7057 B16R1.1758 CCC(CCc1ccccc1)NCCC#N 270004a_100000720768_100011279265 [0,1,0,0,0,1|1,0,1]=4 7058 B16R1.1758 CCC(CCc1ccccc1)NCCCF 270004a_100015189416_100011279265 [0,1,0,0,0,1|0,1,0]=3 7059 B16R1.1758 CCC(CCc1ccccc1)NCCCO 270004a_100000182051_100011279265 [0,1,0,0,0,1|1,0,0]=3 7060 B16R1.1758 CCC(CCc1ccccc1)NCCOC 270004a_100000209980_100011279265 [0,1,0,0,0,1|2,0,0]=4 7061 B16R1.1758 CCC(CCc1ccccc1)NCCSC 270004a_100020590264_100011279265 [0,1,0,0,0,1|2,0,0]=4 7062 B16R1.1758 CCCCCC(CC)NCc1ccccc1 270004a_100015324214_100011215316 [0,1,0,0,0,1|2,0,0]=4 7063 B16R1.1758 CCCCCC(CC)OCc1ccccc1 34a_100011215405_100015291786 [0,1,0,0,0,1|2,0,0]=4 7064 B16R1.1758 CCCCCC(CC)OCc1ccccc1 7a_100011215405_100000211182 [0,1,0,0,0,1|2,0,0]=4 7065 B16R1.1758 CCCCNC(CC)CCc1ccccc1 270004a_100000102301_100011279265 [0,1,0,0,0,1|1,0,0]=3 7066 B16R1.1758 CCCCOC(CN)COc1ccccc1 34a_100000738913_100000210210 [0,1,0,0,0,1|2,0,0]=4 7067 B16R1.1758 NCC(COc1ccccc1)OCCCF 34a_100000738913_100011934791 [0,1,0,0,0,1|1,1,0]=4 7068 B16R1.1758 NCC(COc1ccccc1)OCCCO 34a_100000738913_100000230001 [0,1,0,0,0,1|2,0,0]=4 7069 B16R1.20527 CC(C)(CCc1ccccc1)OCCCF 7a_100000750528_100011934791 [0,1,0,0,0,1|1,1,0]=4 7070 B16R1.20527 CC(C)(CCc1ccccc1)OCCCO 7a_100000750528_100011215043 [0,1,0,0,0,1|2,0,0]=4 7071 B16R1.20527 CCCCOC(C)(C)CCc1ccccc1 7a_100000750528_100000210211 [0,1,0,0,0,1|2,0,0]=4 7072 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000718082_100000691760 [0,2,0,0,0,0|1,0,0]=3 7073 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)C 270004a_100000718082_100000751045 [0,2,0,0,0,0|1,0,0]=3 7074 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000718082_100000747806 [0,2,0,0,0,0|1,0,0]=3 7075 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)F 270004a_100000718082_100000745281 [0,2,0,0,0,0|1,0,0]=3 7076 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000731252 [0,2,0,0,0,0|1,0,0]=3 7077 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 270004a_100000718082_100011218180 [0,2,0,0,0,0|1,0,0]=3 7078 B16R1.54 C#CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000695029 [0,2,0,0,0,0|1,0,0]=3 7079 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000695029 [0,2,0,0,0,0|2,0,0]=4 7080 B16R1.54 C#CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100011215417 [0,2,0,0,0,0|2,0,0]=4 7081 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000700776_100000691760 [0,2,0,0,0,0|1,0,0]=3 7082 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)C 270004a_100000700776_100000751045 [0,2,0,0,0,0|1,0,0]=3 7083 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000700776_100000747806 [0,2,0,0,0,0|1,0,0]=3 7084 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)F 270004a_100000700776_100000745281 [0,2,0,0,0,0|1,0,0]=3 7085 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011713584 [0,2,0,0,0,0|1,0,0]=3 7086 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 270004a_100000700776_100011218180 [0,2,0,0,0,0|1,0,0]=3 7087 B16R1.54 C=CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000757094 [0,2,0,0,0,0|1,0,0]=3 7088 B16R1.54 C=CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000757094 [0,2,0,0,0,0|2,0,0]=4 7089 B16R1.54 C=CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000757094 [0,2,0,0,0,0|2,0,0]=4 7090 B16R1.54 C=COCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000039644 [0,2,0,0,0,0|1,0,1]=4 7091 B16R1.54 C=COCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000039644 [0,2,0,0,0,0|1,0,1]=4 7092 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 2230a_100015189416_100010228477 [0,2,0,0,0,0|1,1,0]=4 7093 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 2230a_200020586543_100011934791 [0,2,0,0,0,0|1,1,0]=4 7094 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 34a_100015189416_100010228477 [0,2,0,0,0,0|1,1,0]=4 7095 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 34a_200020586543_100011934791 [0,2,0,0,0,0|1,1,0]=4 7096 B16R1.54 CC(CNCCCO)Oc1ccc(cc1)F 2230a_200020586543_100000230001 [0,2,0,0,0,0|2,0,0]=4 7097 B16R1.54 CC(CNCCCO)Oc1ccc(cc1)F 34a_200020586543_100000230001 [0,2,0,0,0,0|2,0,0]=4 7098 B16R1.54 CC(COCCCCl)Oc1ccc(cc1)F 34a_100000230001_100010228477 [0,2,0,0,0,0|2,0,0]=4 7099 B16R1.54 CC(Cc1ccc(cc1)Br)NCCCCO 270004a_100000750430_100000691760 [0,2,0,0,0,0|1,0,0]=3 7100 B16R1.54 CC(Cc1ccc(cc1)Cl)NCCCCO 270004a_100000750430_100000747806 [0,2,0,0,0,0|1,0,0]=3 7101 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCO 270004a_100000750430_100000745281 [0,2,0,0,0,0|1,0,0]=3 7102 B16R1.54 CC(Cc1ccc(cc1)F)OCCCC#N 7a_100011351027_100000687738 [0,2,0,0,0,0|2,0,0]=4 7103 B16R1.54 CC(Cc1ccc(cc1)F)OCCCC=O 7a_100011351027_200011292268 [0,2,0,0,0,0|2,0,0]=4 7104 B16R1.54 CC(Cc1ccc(cc1)F)OCCCCF 34a_100011351027_100000729493 [0,2,0,0,0,0|1,1,0]=4 7105 B16R1.54 CC(Cc1ccc(cc1)F)OCCCCF 7a_100011351027_100000729493 [0,2,0,0,0,0|1,1,0]=4 7106 B16R1.54 CC(Cc1ccc(cc1)F)OCCCCO 34a_100011351027_100011216708 [0,2,0,0,0,0|2,0,0]=4 7107 B16R1.54 CC(Cc1ccc(cc1)F)OCCCCO 7a_100011351027_100000210776 [0,2,0,0,0,0|2,0,0]=4 7108 B16R1.54 CC(Cc1ccc(cc1)O)NCC#CCO 2230a_100102634573_200000047223 [0,2,0,0,0,0|1,0,1]=4 7109 B16R1.54 CC(Cc1ccc(cc1)O)NCC#CCO 34a_100102634573_200000047223 [0,2,0,0,0,0|1,0,1]=4 7110 B16R1.54 CC(Cc1ccc(cc1)O)NCCCC#N 2230a_100102634573_100000687738 [0,2,0,0,0,0|1,0,0]=3 7111 B16R1.54 CC(Cc1ccc(cc1)O)NCCCC=O 2230a_100102634573_200011292268 [0,2,0,0,0,0|1,0,0]=3 7112 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCF 2230a_100102634573_100000729493 [0,2,0,0,0,0|0,1,0]=3 7113 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCF 34a_100102634573_100000729493 [0,2,0,0,0,0|0,1,0]=3 7114 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 2230a_100102634573_100000210776 [0,2,0,0,0,0|1,0,0]=3 7115 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 270004a_100000750430_100011218180 [0,2,0,0,0,0|1,0,0]=3 7116 B16R1.54 CC(Cc1ccc(cc1)O)NCCCCO 34a_100102634573_100011216708 [0,2,0,0,0,0|1,0,0]=3 7117 B16R1.54 CC/C=C\CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100103147603 [0,2,0,0,0,0|1,0,1]=4 7118 B16R1.54 CC/C=C\CNC(C)Cc1ccc(cc1)O 34a_100102634573_100103147603 [0,2,0,0,0,0|1,0,1]=4 7119 B16R1.54 CCC#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100009813939 [0,2,0,0,0,0|1,0,1]=4 7120 B16R1.54 CCC#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100009813939 [0,2,0,0,0,0|1,0,1]=4 7121 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)Br 270004a_100000209983_100000691760 [0,2,0,0,0,0|1,0,0]=3 7122 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)C 270004a_100000209983_100000751045 [0,2,0,0,0,0|1,0,0]=3 7123 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000209983_100000747806 [0,2,0,0,0,0|1,0,0]=3 7124 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)F 270004a_100000209983_100000745281 [0,2,0,0,0,0|1,0,0]=3 7125 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210326 [0,2,0,0,0,0|1,0,0]=3 7126 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 270004a_100000209983_100011218180 [0,2,0,0,0,0|1,0,0]=3 7127 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000718602 [0,2,0,0,0,0|1,0,0]=3 7128 B16R1.54 CCCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000718602 [0,2,0,0,0,0|2,0,0]=4 7129 B16R1.54 CCCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210326 [0,2,0,0,0,0|2,0,0]=4 7130 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000210211 [0,2,0,0,0,0|2,0,0]=4 7131 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000210210 [0,2,0,0,0,0|2,0,0]=4 7132 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 2230a_100000102301_100010228477 [0,2,0,0,0,0|2,0,0]=4 7133 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210211 [0,2,0,0,0,0|2,0,0]=4 7134 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210210 [0,2,0,0,0,0|2,0,0]=4 7135 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 7a_106832991798_100010228477 [0,2,0,0,0,0|2,0,0]=4 7136 B16R1.54 CCCCNN=C(C)Cc1ccc(cc1)C 4a_100025702795_100000751045 [0,2,0,0,0,0|1,0,1]=4 7137 B16R1.54 CCCCNN=C(C)Cc1ccc(cc1)Cl 4a_100025702795_100000747806 [0,2,0,0,0,0|1,0,1]=4 7138 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)Br 270004a_102516460346_100000691760 [0,2,0,0,0,0|1,0,0]=3 7139 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)C 270004a_102516460346_100000751045 [0,2,0,0,0,0|1,0,0]=3 7140 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)Cl 270004a_102516460346_100000747806 [0,2,0,0,0,0|1,0,0]=3 7141 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)F 270004a_102516460346_100000745281 [0,2,0,0,0,0|1,0,0]=3 7142 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011215890 [0,2,0,0,0,0|1,0,0]=3 7143 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 270004a_102516460346_100011218180 [0,2,0,0,0,0|1,0,0]=3 7144 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210147 [0,2,0,0,0,0|1,0,0]=3 7145 B16R1.54 CCOCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210147 [0,2,0,0,0,0|2,0,0]=4 7146 B16R1.54 CCOCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100011215890 [0,2,0,0,0,0|2,0,0]=4 7147 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)Br 270004a_100000106463_100000691760 [0,2,0,0,0,0|1,0,0]=3 7148 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)C 270004a_100000106463_100000751045 [0,2,0,0,0,0|1,0,0]=3 7149 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)Cl 270004a_100000106463_100000747806 [0,2,0,0,0,0|1,0,0]=3 7150 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)F 270004a_100000106463_100000745281 [0,2,0,0,0,0|1,0,0]=3 7151 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000757381 [0,2,0,0,0,0|1,0,0]=3 7152 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 270004a_100000106463_100011218180 [0,2,0,0,0,0|1,0,0]=3 7153 B16R1.54 CCSCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000757381 [0,2,0,0,0,0|1,0,0]=3 7154 B16R1.54 CCSCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000757381 [0,2,0,0,0,0|2,0,0]=4 7155 B16R1.54 CCSCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000757381 [0,2,0,0,0,0|2,0,0]=4 7156 B16R1.54 COCCCNC(C)Cc1ccc(cc1)Br 270004a_100150723488_100000691760 [0,2,0,0,0,0|1,0,0]=3 7157 B16R1.54 COCCCNC(C)Cc1ccc(cc1)C 270004a_100150723488_100000751045 [0,2,0,0,0,0|1,0,0]=3 7158 B16R1.54 COCCCNC(C)Cc1ccc(cc1)Cl 270004a_100150723488_100000747806 [0,2,0,0,0,0|1,0,0]=3 7159 B16R1.54 COCCCNC(C)Cc1ccc(cc1)F 270004a_100150723488_100000745281 [0,2,0,0,0,0|1,0,0]=3 7160 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000740836 [0,2,0,0,0,0|1,0,0]=3 7161 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 270004a_100150723488_100011218180 [0,2,0,0,0,0|1,0,0]=3 7162 B16R1.54 COCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000740836 [0,2,0,0,0,0|1,0,0]=3 7163 B16R1.54 COCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000740836 [0,2,0,0,0,0|2,0,0]=4 7164 B16R1.54 COCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000740836 [0,2,0,0,0,0|2,0,0]=4 7165 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Br 270004a_100000749238_100000691760 [0,2,0,0,0,0|1,0,0]=3 7166 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)C 270004a_100000749238_100000751045 [0,2,0,0,0,0|1,0,0]=3 7167 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000749238_100000747806 [0,2,0,0,0,0|1,0,0]=3 7168 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)F 270004a_100000749238_100000745281 [0,2,0,0,0,0|1,0,0]=3 7169 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)O 270004a_100000749238_100011218180 [0,2,0,0,0,0|1,0,0]=3 7170 B16R1.54 Cc1ccc(cc1)CC(C)NCCCCO 270004a_100000750430_100000751045 [0,2,0,0,0,0|1,0,0]=3 7171 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCF 2230a_100000763606_100011934791 [0,2,0,0,0,0|1,1,0]=4 7172 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCF 34a_100000763606_100011934791 [0,2,0,0,0,0|1,1,0]=4 7173 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCO 2230a_100000763606_100000230001 [0,2,0,0,0,0|2,0,0]=4 7174 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCO 34a_100000763606_100000230001 [0,2,0,0,0,0|2,0,0]=4 7175 B16R1.55 C#CCCCNC(C)Cc1cc(ccn1)C 270004a_100000718082_200015184229 [0,2,0,0,0,0|2,0,0]=4 7176 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)Br 270004a_100000718082_100000689217 [0,2,0,0,0,0|1,0,0]=3 7177 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000718082_100000727212 [0,2,0,0,0,0|1,0,0]=3 7178 B16R1.55 C#CCCCNC(C)Cc1cccc(c1)F 270004a_100000718082_100000687711 [0,2,0,0,0,0|1,0,0]=3 7179 B16R1.55 C=CCCCNC(C)Cc1cc(ccn1)C 270004a_100000700776_200015184229 [0,2,0,0,0,0|2,0,0]=4 7180 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)Br 270004a_100000700776_100000689217 [0,2,0,0,0,0|1,0,0]=3 7181 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)Cl 270004a_100000700776_100000727212 [0,2,0,0,0,0|1,0,0]=3 7182 B16R1.55 C=CCCCNC(C)Cc1cccc(c1)F 270004a_100000700776_100000687711 [0,2,0,0,0,0|1,0,0]=3 7183 B16R1.55 CC(Cc1cccc(c1)Br)NCCCCO 270004a_100000750430_100000689217 [0,2,0,0,0,0|1,0,0]=3 7184 B16R1.55 CC(Cc1cccc(c1)Cl)NCCCCO 270004a_100000750430_100000727212 [0,2,0,0,0,0|1,0,0]=3 7185 B16R1.55 CC(Cc1cccc(c1)F)NCCCCO 270004a_100000750430_100000687711 [0,2,0,0,0,0|1,0,0]=3 7186 B16R1.55 CCCCCNC(C)Cc1cc(ccn1)C 270004a_100000209983_200015184229 [0,2,0,0,0,0|2,0,0]=4 7187 B16R1.55 CCCCCNC(C)Cc1cccc(c1)Br 270004a_100000209983_100000689217 [0,2,0,0,0,0|1,0,0]=3 7188 B16R1.55 CCCCCNC(C)Cc1cccc(c1)Cl 270004a_100000209983_100000727212 [0,2,0,0,0,0|1,0,0]=3 7189 B16R1.55 CCCCCNC(C)Cc1cccc(c1)F 270004a_100000209983_100000687711 [0,2,0,0,0,0|1,0,0]=3 7190 B16R1.55 CCOCCNC(C)Cc1cc(ccn1)C 270004a_102516460346_200015184229 [0,2,0,0,0,0|2,0,0]=4 7191 B16R1.55 CCOCCNC(C)Cc1cccc(c1)Br 270004a_102516460346_100000689217 [0,2,0,0,0,0|1,0,0]=3 7192 B16R1.55 CCOCCNC(C)Cc1cccc(c1)Cl 270004a_102516460346_100000727212 [0,2,0,0,0,0|1,0,0]=3 7193 B16R1.55 CCOCCNC(C)Cc1cccc(c1)F 270004a_102516460346_100000687711 [0,2,0,0,0,0|1,0,0]=3 7194 B16R1.55 CCSCCNC(C)Cc1cc(ccn1)C 270004a_100000106463_200015184229 [0,2,0,0,0,0|2,0,0]=4 7195 B16R1.55 CCSCCNC(C)Cc1cccc(c1)Br 270004a_100000106463_100000689217 [0,2,0,0,0,0|1,0,0]=3 7196 B16R1.55 CCSCCNC(C)Cc1cccc(c1)Cl 270004a_100000106463_100000727212 [0,2,0,0,0,0|1,0,0]=3 7197 B16R1.55 CCSCCNC(C)Cc1cccc(c1)F 270004a_100000106463_100000687711 [0,2,0,0,0,0|1,0,0]=3 7198 B16R1.55 COCCCNC(C)Cc1cc(ccn1)C 270004a_100150723488_200015184229 [0,2,0,0,0,0|2,0,0]=4 7199 B16R1.55 COCCCNC(C)Cc1cccc(c1)Br 270004a_100150723488_100000689217 [0,2,0,0,0,0|1,0,0]=3 7200 B16R1.55 COCCCNC(C)Cc1cccc(c1)Cl 270004a_100150723488_100000727212 [0,2,0,0,0,0|1,0,0]=3 7201 B16R1.55 COCCCNC(C)Cc1cccc(c1)F 270004a_100150723488_100000687711 [0,2,0,0,0,0|1,0,0]=3 7202 B16R1.55 CSCCCNC(C)Cc1cc(ccn1)C 270004a_100000749238_200015184229 [0,2,0,0,0,0|2,0,0]=4 7203 B16R1.55 CSCCCNC(C)Cc1cccc(c1)Br 270004a_100000749238_100000689217 [0,2,0,0,0,0|1,0,0]=3 7204 B16R1.55 CSCCCNC(C)Cc1cccc(c1)Cl 270004a_100000749238_100000727212 [0,2,0,0,0,0|1,0,0]=3 7205 B16R1.55 CSCCCNC(C)Cc1cccc(c1)F 270004a_100000749238_100000687711 [0,2,0,0,0,0|1,0,0]=3 7206 B16R1.55 Cc1ccnc(c1)CC(C)NCCCCO 270004a_100000750430_200015184229 [0,2,0,0,0,0|2,0,0]=4 7207 B16R1.610 CC(=O)CCCOC(C)Cc1ccccc1 34a_100000748627_100000685027 [0,2,0,0,0,0|2,0,0]=4 7208 B16R1.610 CC(=O)CCCOC(C)Cc1ccccc1 34a_100000759063_200011218536 [0,2,0,0,0,0|2,0,0]=4 7209 B16R1.610 CC(=O)CCCOC(C)Cc1ccccc1 7a_100000748627_100011215641 [0,2,0,0,0,0|2,0,0]=4 7210 B16R1.610 CC(=O)CCCOC(C)Cc1ccccc1 7a_100000759063_200011218536 [0,2,0,0,0,0|2,0,0]=4 7211 B16R1.610 CC(=O)CCCSC(C)Cc1ccccc1 62a_100011215641_200011218536 [0,2,0,0,0,0|2,0,0]=4 7212 B16R1.610 CC(=O)CCCSC(C)Cc1ccccc1 62a_200011218536_100011215641 [0,2,0,0,0,0|2,0,0]=4 7213 B16R1.610 CC(C)CCCNC(C)C[n+]1ccccc1 270004a_200000737386_100000034229 [0,2,0,0,0,0|2,0,0]=4 7214 B16R1.610 CC(C)CCCNC(C)Cc1ccccc1 34a_200000737386_200011218536 [0,2,0,0,0,0|1,0,0]=3 7215 B16R1.610 CC(C)CCCNC(C)Cc1ccccn1 2230a_100000238496_100011214892 [0,2,0,0,0,0|2,0,0]=4 7216 B16R1.610 CC(C)CCCNC(C)Cc1cccnc1 2230a_100011207255_100011214892 [0,2,0,0,0,0|2,0,0]=4 7217 B16R1.610 CC(C)CCCNC(C)Cc1cccnc1 270004a_200000737386_100015187140 [0,2,0,0,0,0|2,0,0]=4 7218 B16R1.610 CC(C)CCCNC(C)Cc1ccncc1 270004a_200000737386_100000238508 [0,2,0,0,0,0|2,0,0]=4 7219 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 34a_100000210774_200011218536 [0,2,0,0,0,0|2,0,0]=4 7220 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 34a_100000748627_100011214892 [0,2,0,0,0,0|2,0,0]=4 7221 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 7a_100000210774_200011218536 [0,2,0,0,0,0|2,0,0]=4 7222 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 7a_100000748627_100011214892 [0,2,0,0,0,0|2,0,0]=4 7223 B16R1.610 CC(C)CCCSC(C)Cc1ccccc1 62a_100011214892_200011218536 [0,2,0,0,0,0|2,0,0]=4 7224 B16R1.610 CC(C)CCCSC(C)Cc1ccccc1 62a_200011218536_100011214892 [0,2,0,0,0,0|2,0,0]=4 7225 B16R1.610 CC(C)CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210312 [0,2,0,0,0,0|2,0,0]=4 7226 B16R1.610 CC(C)CCNCC(C)Oc1ccccc1 269862a_100000755676_100000185833 [0,2,0,0,0,0|2,0,0]=4 7227 B16R1.610 CC(C)CCNCC(C)Oc1ccccc1 34a_100000755676_100000210312 [0,2,0,0,0,0|2,0,0]=4 7228 B16R1.610 CC(C)CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210312 [0,2,0,0,0,0|2,0,0]=4 7229 B16R1.610 CC(C)CCNCC(O)Cc1ccccc1 269862a_100000752270_100000185833 [0,2,0,0,0,0|2,0,0]=4 7230 B16R1.610 CC(C)CCOCC(C)Cc1ccccc1 34a_100012125295_100000210312 [0,2,0,0,0,0|2,0,0]=4 7231 B16R1.610 CC(C)CCOCC(C)Cc1ccccc1 7a_100012125295_100000210626 [0,2,0,0,0,0|2,0,0]=4 7232 B16R1.610 CC(C)NCCOC(C)Cc1ccccc1 34a_100000224655_200011218536 [0,2,0,0,0,0|2,0,0]=4 7233 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 34a_100000211219_200011218536 [0,2,0,0,0,0|2,0,0]=4 7234 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 34a_100000748627_100000211751 [0,2,0,0,0,0|2,0,0]=4 7235 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 7a_100000211219_200011218536 [0,2,0,0,0,0|2,0,0]=4 7236 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 7a_100000748627_100000211751 [0,2,0,0,0,0|2,0,0]=4 7237 B16R1.610 CC(C)OCCSC(C)Cc1ccccc1 62a_100000211751_200011218536 [0,2,0,0,0,0|2,0,0]=4 7238 B16R1.610 CC(C)OCCSC(C)Cc1ccccc1 62a_200011218536_100000211751 [0,2,0,0,0,0|2,0,0]=4 7239 B16R1.610 CC(C)SCCSC(C)Cc1ccccc1 62a_100000730970_200011218536 [0,2,0,0,0,0|2,0,0]=4 7240 B16R1.610 CC(C)SCCSC(C)Cc1ccccc1 62a_200011218536_100000730970 [0,2,0,0,0,0|2,0,0]=4 7241 B16R1.610 CC(C[n+]1ccccc1)NCCCN(C)C 270004a_102531767803_100000034229 [0,2,0,0,0,0|2,0,0]=4 7242 B16R1.610 CC(C[n+]1ccccc1)NCCCS(=O)C 270004a_200000753449_100000034229 [0,2,0,0,0,0|2,0,0]=4 7243 B16R1.610 CC(C[n+]1ccccc1)NCCOC(C)C 270004a_100000701111_100000034229 [0,2,0,0,0,0|2,0,0]=4 7244 B16R1.610 CC(C[n+]1ccccc1)NCCSC(C)C 270004a_100000731138_100000034229 [0,2,0,0,0,0|2,0,0]=4 7245 B16R1.610 CC(Cc1ccccc1)NCCCC(=O)N 34a_100000739312_200011218536 [0,2,0,0,0,0|1,0,0]=3 7246 B16R1.610 CC(Cc1ccccc1)NCCNC(=O)N 34a_100020590234_200011218536 [0,2,0,0,0,0|1,0,1]=4 7247 B16R1.610 CC(Cc1ccccc1)NCCOC(C)C 34a_100000701111_200011218536 [0,2,0,0,0,0|1,0,0]=3 7248 B16R1.610 CC(Cc1ccccc1)NCCSC(C)C 34a_100000731138_200011218536 [0,2,0,0,0,0|1,0,0]=3 7249 B16R1.610 CC(Cc1ccccc1)OCCCC(=O)N 34a_100000748627_100102525003 [0,2,0,0,0,0|2,0,0]=4 7250 B16R1.610 CC(Cc1ccccc1)OCCCC(=O)N 7a_100000748627_100102525003 [0,2,0,0,0,0|2,0,0]=4 7251 B16R1.610 CC(Cc1ccccc1)OCCCN(C)C 7a_100000748627_100000757444 [0,2,0,0,0,0|2,0,0]=4 7252 B16R1.610 CC(Cc1ccccc1)OCCC[N+](=O)[O-] 34a_200000037920_200011218536 [0,2,0,0,0,0|2,0,0]=4 7253 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 34a_100000748627_100000730970 [0,2,0,0,0,0|2,0,0]=4 7254 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 34a_200011212901_200011218536 [0,2,0,0,0,0|2,0,0]=4 7255 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 7a_100000748627_100000730970 [0,2,0,0,0,0|2,0,0]=4 7256 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 7a_200011212901_200011218536 [0,2,0,0,0,0|2,0,0]=4 7257 B16R1.610 CC(Cc1ccccc1)SCCCC(=O)N 62a_100102525003_200011218536 [0,2,0,0,0,0|2,0,0]=4 7258 B16R1.610 CC(Cc1ccccc1)SCCCC(=O)N 62a_200011218536_100102525003 [0,2,0,0,0,0|2,0,0]=4 7259 B16R1.610 CC(Cc1ccccc1)SCCCN(C)C 62a_200011218536_100000757444 [0,2,0,0,0,0|2,0,0]=4 7260 B16R1.610 CC(Cc1ccccn1)NCCOC(C)C 2230a_100000238496_100000211751 [0,2,0,0,0,0|2,0,0]=4 7261 B16R1.610 CC(Cc1ccccn1)NCCSC(C)C 2230a_100000238496_100000730970 [0,2,0,0,0,0|2,0,0]=4 7262 B16R1.610 CC(Cc1cccnc1)NCCCN(C)C 270004a_102531767803_100015187140 [0,2,0,0,0,0|2,0,0]=4 7263 B16R1.610 CC(Cc1cccnc1)NCCCS(=O)C 270004a_200000753449_100015187140 [0,2,0,0,0,0|2,0,0]=4 7264 B16R1.610 CC(Cc1cccnc1)NCCOC(C)C 2230a_100011207255_100000211751 [0,2,0,0,0,0|2,0,0]=4 7265 B16R1.610 CC(Cc1cccnc1)NCCOC(C)C 270004a_100000701111_100015187140 [0,2,0,0,0,0|2,0,0]=4 7266 B16R1.610 CC(Cc1cccnc1)NCCSC(C)C 2230a_100011207255_100000730970 [0,2,0,0,0,0|2,0,0]=4 7267 B16R1.610 CC(Cc1cccnc1)NCCSC(C)C 270004a_100000731138_100015187140 [0,2,0,0,0,0|2,0,0]=4 7268 B16R1.610 CC(Cc1ccncc1)NCCCN(C)C 270004a_102531767803_100000238508 [0,2,0,0,0,0|2,0,0]=4 7269 B16R1.610 CC(Cc1ccncc1)NCCCS(=O)C 270004a_200000753449_100000238508 [0,2,0,0,0,0|2,0,0]=4 7270 B16R1.610 CC(Cc1ccncc1)NCCOC(C)C 270004a_100000701111_100000238508 [0,2,0,0,0,0|2,0,0]=4 7271 B16R1.610 CC(Cc1ccncc1)NCCSC(C)C 270004a_100000731138_100000238508 [0,2,0,0,0,0|2,0,0]=4 7272 B16R1.610 CC(O)CCCNC(C)Cc1ccccn1 2230a_100000238496_200000718107 [0,2,0,0,0,0|2,0,0]=4 7273 B16R1.610 CC(O)CCCNC(C)Cc1cccnc1 2230a_100011207255_200000718107 [0,2,0,0,0,0|2,0,0]=4 7274 B16R1.610 CC(O)CCCOC(C)Cc1ccccc1 34a_100000748627_200000718107 [0,2,0,0,0,0|2,0,0]=4 7275 B16R1.610 CC(O)CCCOC(C)Cc1ccccc1 7a_100000748627_200000718107 [0,2,0,0,0,0|2,0,0]=4 7276 B16R1.610 CC(O)CCCSC(C)Cc1ccccc1 62a_200000718107_200011218536 [0,2,0,0,0,0|2,0,0]=4 7277 B16R1.610 CC(O)CCCSC(C)Cc1ccccc1 62a_200011218536_200000718107 [0,2,0,0,0,0|2,0,0]=4 7278 B16R1.610 CC(O)CCNCC(C)Oc1ccccc1 2230a_100000755676_100012276601 [0,2,0,0,0,0|2,0,0]=4 7279 B16R1.610 CC(O)CCNCC(C)Oc1ccccc1 34a_100000755676_100012276601 [0,2,0,0,0,0|2,0,0]=4 7280 B16R1.610 CC(O)CCNCC(O)Cc1ccccc1 2230a_100000752270_100012276601 [0,2,0,0,0,0|2,0,0]=4 7281 B16R1.610 CC(O)CCNC[C@@H](O)Cc1ccccc1 2230a_200000755665_100000729385 [0,2,0,0,0,0|2,0,0]=4 7282 B16R1.610 CC(O)CCOCC(C)Cc1ccccc1 34a_100012125295_100012276601 [0,2,0,0,0,0|2,0,0]=4 7283 B16R1.610 CC(O)CCOCC(C)Cc1ccccc1 7a_100012125295_100012276601 [0,2,0,0,0,0|2,0,0]=4 7284 B16R1.610 C[C@@H](Cl)COCCN(C)Cc1ccccc1 34a_100016084084_100015196923 [0,2,0,0,0,0|2,0,0]=4 7285 B16R1.693 C#CCCCCNC(C)Cc1ccccc1 34a_100000706060_200011218536 [0,2,0,0,0,0|1,0,0]=3 7286 B16R1.693 C#CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100010269958 [0,2,0,0,0,0|2,0,0]=4 7287 B16R1.693 C#CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100010269958 [0,2,0,0,0,0|2,0,0]=4 7288 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 34a_100000748627_100010269958 [0,2,0,0,0,0|2,0,0]=4 7289 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 34a_100000766709_200011218536 [0,2,0,0,0,0|2,0,0]=4 7290 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 7a_100000748627_100010269958 [0,2,0,0,0,0|2,0,0]=4 7291 B16R1.693 C#CCCCCOC(C)Cc1ccccc1 7a_100000766709_200011218536 [0,2,0,0,0,0|2,0,0]=4 7292 B16R1.693 C#CCCCCSC(C)Cc1ccccc1 62a_100010269958_200011218536 [0,2,0,0,0,0|2,0,0]=4 7293 B16R1.693 C#CCCCCSC(C)Cc1ccccc1 62a_200011218536_100010269958 [0,2,0,0,0,0|2,0,0]=4 7294 B16R1.693 C#CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000731252 [0,2,0,0,0,0|2,0,0]=4 7295 B16R1.693 C#CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000695029 [0,2,0,0,0,0|2,0,0]=4 7296 B16R1.693 C#CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000731252 [0,2,0,0,0,0|2,0,0]=4 7297 B16R1.693 C#CCCCNC[C@@H](O)Cc1ccccc1 34a_100000718082_100000729385 [0,2,0,0,0,0|2,0,0]=4 7298 B16R1.693 C#CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000695029 [0,2,0,0,0,0|2,0,0]=4 7299 B16R1.693 C#CCCCOCC(C)Cc1ccccc1 7a_100012125295_100011215417 [0,2,0,0,0,0|2,0,0]=4 7300 B16R1.693 C#CCOCCNC(C)Cc1ccccc1 34a_100000700922_200011218536 [0,2,0,0,0,0|1,0,0]=3 7301 B16R1.693 C#CCOCCNC(C)Cc1ccccn1 2230a_100000238496_100010402529 [0,2,0,0,0,0|2,0,0]=4 7302 B16R1.693 C#CCOCCNC(C)Cc1cccnc1 2230a_100011207255_100010402529 [0,2,0,0,0,0|2,0,0]=4 7303 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 34a_100000054580_200011218536 [0,2,0,0,0,0|2,0,0]=4 7304 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 34a_100000748627_100010402529 [0,2,0,0,0,0|2,0,0]=4 7305 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 7a_100000054580_200011218536 [0,2,0,0,0,0|2,0,0]=4 7306 B16R1.693 C#CCOCCOC(C)Cc1ccccc1 7a_100000748627_100010402529 [0,2,0,0,0,0|2,0,0]=4 7307 B16R1.693 C#CCOCCSC(C)Cc1ccccc1 62a_100010402529_200011218536 [0,2,0,0,0,0|2,0,0]=4 7308 B16R1.693 C#CCOCCSC(C)Cc1ccccc1 62a_200011218536_100010402529 [0,2,0,0,0,0|2,0,0]=4 7309 B16R1.693 C=CCCCCNC(C)C[n+]1ccccc1 270004a_100000703577_100000034229 [0,2,0,0,0,0|2,0,0]=4 7310 B16R1.693 C=CCCCCNC(C)Cc1ccccc1 34a_100000703577_200011218536 [0,2,0,0,0,0|1,0,0]=3 7311 B16R1.693 C=CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100011215482 [0,2,0,0,0,0|2,0,0]=4 7312 B16R1.693 C=CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100011215482 [0,2,0,0,0,0|2,0,0]=4 7313 B16R1.693 C=CCCCCNC(C)Cc1cccnc1 270004a_100000703577_100015187140 [0,2,0,0,0,0|2,0,0]=4 7314 B16R1.693 C=CCCCCNC(C)Cc1ccncc1 270004a_100000703577_100000238508 [0,2,0,0,0,0|2,0,0]=4 7315 B16R1.693 C=CCCCCOC(C)Cc1ccccc1 34a_100000748627_100011215482 [0,2,0,0,0,0|2,0,0]=4 7316 B16R1.693 C=CCCCCOC(C)Cc1ccccc1 34a_100000766645_200011218536 [0,2,0,0,0,0|2,0,0]=4 7317 B16R1.693 C=CCCCCOC(C)Cc1ccccc1 7a_100000748627_100011215482 [0,2,0,0,0,0|2,0,0]=4 7318 B16R1.693 C=CCCCCOC(C)Cc1ccccc1 7a_100000766645_200011218536 [0,2,0,0,0,0|2,0,0]=4 7319 B16R1.693 C=CCCCCSC(C)Cc1ccccc1 62a_100011215482_200011218536 [0,2,0,0,0,0|2,0,0]=4 7320 B16R1.693 C=CCCCCSC(C)Cc1ccccc1 62a_200011218536_100011215482 [0,2,0,0,0,0|2,0,0]=4 7321 B16R1.693 C=CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100011713584 [0,2,0,0,0,0|2,0,0]=4 7322 B16R1.693 C=CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000757094 [0,2,0,0,0,0|2,0,0]=4 7323 B16R1.693 C=CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100011713584 [0,2,0,0,0,0|2,0,0]=4 7324 B16R1.693 C=CCCCNC[C@@H](O)Cc1ccccc1 2230a_100000700776_100000729385 [0,2,0,0,0,0|2,0,0]=4 7325 B16R1.693 C=CCCCNC[C@@H](O)Cc1ccccc1 34a_100000700776_100000729385 [0,2,0,0,0,0|2,0,0]=4 7326 B16R1.693 C=CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000757094 [0,2,0,0,0,0|2,0,0]=4 7327 B16R1.693 C=CCCCOCC(C)Cc1ccccc1 7a_100012125295_100000757094 [0,2,0,0,0,0|2,0,0]=4 7328 B16R1.693 C=CCOCCOC(C)Cc1ccccc1 34a_100000037705_200011218536 [0,2,0,0,0,0|2,0,0]=4 7329 B16R1.693 C=CCOCCOC(C)Cc1ccccc1 7a_100000037705_200011218536 [0,2,0,0,0,0|2,0,0]=4 7330 B16R1.693 C=COCCCNC(C)C[n+]1ccccc1 270004a_100000210767_100000034229 [0,2,0,0,0,0|2,0,0]=4 7331 B16R1.693 C=COCCCNC(C)Cc1ccccc1 34a_100000210767_200011218536 [0,2,0,0,0,0|1,0,0]=3 7332 B16R1.693 C=COCCCNC(C)Cc1cccnc1 270004a_100000210767_100015187140 [0,2,0,0,0,0|2,0,0]=4 7333 B16R1.693 C=COCCCNC(C)Cc1ccncc1 270004a_100000210767_100000238508 [0,2,0,0,0,0|2,0,0]=4 7334 B16R1.693 CC(CNCCCC#N)Oc1ccccc1 2230a_100000755676_100000687738 [0,2,0,0,0,0|2,0,0]=4 7335 B16R1.693 CC(CNCCCC=O)Oc1ccccc1 2230a_100000755676_200011292268 [0,2,0,0,0,0|2,0,0]=4 7336 B16R1.693 CC(CNCCCCF)Oc1ccccc1 2230a_100000755676_100000729493 [0,2,0,0,0,0|1,1,0]=4 7337 B16R1.693 CC(CNCCCCF)Oc1ccccc1 34a_100000755676_100000729493 [0,2,0,0,0,0|1,1,0]=4 7338 B16R1.693 CC(CNCCCCO)Oc1ccccc1 2230a_100000755676_100000210776 [0,2,0,0,0,0|2,0,0]=4 7339 B16R1.693 CC(CNCCCCO)Oc1ccccc1 34a_100000755676_100011216708 [0,2,0,0,0,0|2,0,0]=4 7340 B16R1.693 CC(COCCCC#N)Cc1ccccc1 7a_100012125295_100000687738 [0,2,0,0,0,0|2,0,0]=4 7341 B16R1.693 CC(COCCCC=O)Cc1ccccc1 7a_100012125295_200011292268 [0,2,0,0,0,0|2,0,0]=4 7342 B16R1.693 CC(COCCCCF)Cc1ccccc1 34a_100012125295_100000729493 [0,2,0,0,0,0|1,1,0]=4 7343 B16R1.693 CC(COCCCCF)Cc1ccccc1 7a_100012125295_100000729493 [0,2,0,0,0,0|1,1,0]=4 7344 B16R1.693 CC(COCCCCO)Cc1ccccc1 34a_100012125295_100011216708 [0,2,0,0,0,0|2,0,0]=4 7345 B16R1.693 CC(COCCCCO)Cc1ccccc1 7a_100012125295_100000210776 [0,2,0,0,0,0|2,0,0]=4 7346 B16R1.693 CC(C[n+]1ccccc1)NCCCCC#N 270004a_100000751965_100000034229 [0,2,0,0,0,0|2,0,0]=4 7347 B16R1.693 CC(C[n+]1ccccc1)NCCCCCO 270004a_100000762737_100000034229 [0,2,0,0,0,0|2,0,0]=4 7348 B16R1.693 CC(C[n+]1ccccc1)NCCCN=[N+]=[N-] 270004a_100000744732_100000034229 [0,2,0,0,0,0|2,0,0]=4 7349 B16R1.693 CC(C[n+]1ccccc1)NCCOCCO 270004a_100000211614_100000034229 [0,2,0,0,0,0|2,0,0]=4 7350 B16R1.693 CC(C[n+]1ccccc1)NCCSCCO 270004a_100011219999_100000034229 [0,2,0,0,0,0|2,0,0]=4 7351 B16R1.693 CC(Cc1ccccc1)NCCCCCO 34a_100000762737_200011218536 [0,2,0,0,0,0|1,0,0]=3 7352 B16R1.693 CC(Cc1ccccc1)NCCOCCO 34a_100000211614_200011218536 [0,2,0,0,0,0|1,0,0]=3 7353 B16R1.693 CC(Cc1ccccc1)OCCCCC#N 7a_100000748627_100000211819 [0,2,0,0,0,0|2,0,0]=4 7354 B16R1.693 CC(Cc1ccccc1)OCCCCC=O 7a_100000748627_100000139335 [0,2,0,0,0,0|2,0,0]=4 7355 B16R1.693 CC(Cc1ccccc1)OCCCCCBr 34a_100000746331_200011218536 [0,2,0,0,0,0|1,1,0]=4 7356 B16R1.693 CC(Cc1ccccc1)OCCCCCBr 7a_100000746331_200011218536 [0,2,0,0,0,0|1,1,0]=4 7357 B16R1.693 CC(Cc1ccccc1)OCCCCCCl 34a_100000746330_200011218536 [0,2,0,0,0,0|1,0,0]=3 7358 B16R1.693 CC(Cc1ccccc1)OCCCCCCl 7a_100000746330_200011218536 [0,2,0,0,0,0|1,0,0]=3 7359 B16R1.693 CC(Cc1ccccc1)OCCCCCF 34a_100000748627_100000729378 [0,2,0,0,0,0|1,1,0]=4 7360 B16R1.693 CC(Cc1ccccc1)OCCCCCF 7a_100000748627_100000729378 [0,2,0,0,0,0|1,1,0]=4 7361 B16R1.693 CC(Cc1ccccc1)OCCCCCI 34a_200012148887_200011218536 [0,2,0,0,0,0|1,1,0]=4 7362 B16R1.693 CC(Cc1ccccc1)OCCCCCI 7a_200012148887_200011218536 [0,2,0,0,0,0|1,1,0]=4 7363 B16R1.693 CC(Cc1ccccc1)OCCCCCN 34a_100000762737_200011218536 [0,2,0,0,0,0|2,0,0]=4 7364 B16R1.693 CC(Cc1ccccc1)OCCCCCO 34a_100000748627_100000746330 [0,2,0,0,0,0|2,0,0]=4 7365 B16R1.693 CC(Cc1ccccc1)OCCCCCO 7a_100000748627_100000746330 [0,2,0,0,0,0|2,0,0]=4 7366 B16R1.693 CC(Cc1ccccc1)OCCOCC#N 7a_100000748627_200000047693 [0,2,0,0,0,0|2,0,0]=4 7367 B16R1.693 CC(Cc1ccccc1)OCCOCCBr 34a_100000692535_200011218536 [0,2,0,0,0,0|1,1,0]=4 7368 B16R1.693 CC(Cc1ccccc1)OCCOCCBr 7a_100000692535_200011218536 [0,2,0,0,0,0|1,1,0]=4 7369 B16R1.693 CC(Cc1ccccc1)OCCOCCCl 34a_100011215305_200011218536 [0,2,0,0,0,0|1,0,0]=3 7370 B16R1.693 CC(Cc1ccccc1)OCCOCCCl 7a_100011215305_200011218536 [0,2,0,0,0,0|1,0,0]=3 7371 B16R1.693 CC(Cc1ccccc1)OCCOCCF 34a_200015357709_200011218536 [0,2,0,0,0,0|1,1,0]=4 7372 B16R1.693 CC(Cc1ccccc1)OCCOCCF 7a_200015357709_200011218536 [0,2,0,0,0,0|1,1,0]=4 7373 B16R1.693 CC(Cc1ccccc1)OCCOCCI 34a_100012149058_200011218536 [0,2,0,0,0,0|1,1,0]=4 7374 B16R1.693 CC(Cc1ccccc1)OCCOCCI 7a_100012149058_200011218536 [0,2,0,0,0,0|1,1,0]=4 7375 B16R1.693 CC(Cc1ccccc1)OCCOCCN 34a_100000211614_200011218536 [0,2,0,0,0,0|2,0,0]=4 7376 B16R1.693 CC(Cc1ccccc1)OCCOCCO 34a_100000748627_100000692535 [0,2,0,0,0,0|2,0,0]=4 7377 B16R1.693 CC(Cc1ccccc1)OCCOCCO 7a_100000748627_100011215305 [0,2,0,0,0,0|2,0,0]=4 7378 B16R1.693 CC(Cc1ccccc1)SCCCCC#N 62a_100011219923_200011218536 [0,2,0,0,0,0|2,0,0]=4 7379 B16R1.693 CC(Cc1ccccc1)SCCCCC#N 62a_200011218536_100000211819 [0,2,0,0,0,0|2,0,0]=4 7380 B16R1.693 CC(Cc1ccccc1)SCCCCC=O 62a_100000139335_200011218536 [0,2,0,0,0,0|2,0,0]=4 7381 B16R1.693 CC(Cc1ccccc1)SCCCCC=O 62a_200011218536_100000139335 [0,2,0,0,0,0|2,0,0]=4 7382 B16R1.693 CC(Cc1ccccc1)SCCCCCF 62a_100000729378_200011218536 [0,2,0,0,0,0|1,1,0]=4 7383 B16R1.693 CC(Cc1ccccc1)SCCCCCF 62a_200011218536_100000729378 [0,2,0,0,0,0|1,1,0]=4 7384 B16R1.693 CC(Cc1ccccc1)SCCCCCO 62a_100000746330_200011218536 [0,2,0,0,0,0|2,0,0]=4 7385 B16R1.693 CC(Cc1ccccc1)SCCCCCO 62a_200011218536_100000746330 [0,2,0,0,0,0|2,0,0]=4 7386 B16R1.693 CC(Cc1ccccc1)SCCOCC#N 62a_200000047693_200011218536 [0,2,0,0,0,0|2,0,0]=4 7387 B16R1.693 CC(Cc1ccccc1)SCCOCC#N 62a_200011218536_200000047693 [0,2,0,0,0,0|2,0,0]=4 7388 B16R1.693 CC(Cc1ccccc1)SCCOCCO 62a_100011215305_200011218536 [0,2,0,0,0,0|2,0,0]=4 7389 B16R1.693 CC(Cc1ccccc1)SCCOCCO 62a_200011218536_100011215305 [0,2,0,0,0,0|2,0,0]=4 7390 B16R1.693 CC(Cc1ccccn1)NCCCCC#N 2230a_100000238496_100000211819 [0,2,0,0,0,0|2,0,0]=4 7391 B16R1.693 CC(Cc1ccccn1)NCCCCC=O 2230a_100000238496_100000139335 [0,2,0,0,0,0|2,0,0]=4 7392 B16R1.693 CC(Cc1ccccn1)NCCCCCF 2230a_100000238496_100000729378 [0,2,0,0,0,0|1,1,0]=4 7393 B16R1.693 CC(Cc1ccccn1)NCCCCCO 2230a_100000238496_100000746330 [0,2,0,0,0,0|2,0,0]=4 7394 B16R1.693 CC(Cc1ccccn1)NCCOCC#N 2230a_100000238496_200000047693 [0,2,0,0,0,0|2,0,0]=4 7395 B16R1.693 CC(Cc1ccccn1)NCCOCCO 2230a_100000238496_100011215305 [0,2,0,0,0,0|2,0,0]=4 7396 B16R1.693 CC(Cc1cccnc1)NCCCCC#N 2230a_100011207255_100000211819 [0,2,0,0,0,0|2,0,0]=4 7397 B16R1.693 CC(Cc1cccnc1)NCCCCC#N 270004a_100000751965_100015187140 [0,2,0,0,0,0|2,0,0]=4 7398 B16R1.693 CC(Cc1cccnc1)NCCCCC=O 2230a_100011207255_100000139335 [0,2,0,0,0,0|2,0,0]=4 7399 B16R1.693 CC(Cc1cccnc1)NCCCCCF 2230a_100011207255_100000729378 [0,2,0,0,0,0|1,1,0]=4 7400 B16R1.693 CC(Cc1cccnc1)NCCCCCO 2230a_100011207255_100000746330 [0,2,0,0,0,0|2,0,0]=4 7401 B16R1.693 CC(Cc1cccnc1)NCCCCCO 270004a_100000762737_100015187140 [0,2,0,0,0,0|2,0,0]=4 7402 B16R1.693 CC(Cc1cccnc1)NCCCN=[N+]=[N-] 270004a_100000744732_100015187140 [0,2,0,0,0,0|2,0,0]=4 7403 B16R1.693 CC(Cc1cccnc1)NCCOCC#N 2230a_100011207255_200000047693 [0,2,0,0,0,0|2,0,0]=4 7404 B16R1.693 CC(Cc1cccnc1)NCCOCCO 2230a_100011207255_100011215305 [0,2,0,0,0,0|2,0,0]=4 7405 B16R1.693 CC(Cc1cccnc1)NCCOCCO 270004a_100000211614_100015187140 [0,2,0,0,0,0|2,0,0]=4 7406 B16R1.693 CC(Cc1cccnc1)NCCSCCO 270004a_100011219999_100015187140 [0,2,0,0,0,0|2,0,0]=4 7407 B16R1.693 CC(Cc1ccncc1)NCCCCC#N 270004a_100000751965_100000238508 [0,2,0,0,0,0|2,0,0]=4 7408 B16R1.693 CC(Cc1ccncc1)NCCCCCO 270004a_100000762737_100000238508 [0,2,0,0,0,0|2,0,0]=4 7409 B16R1.693 CC(Cc1ccncc1)NCCCN=[N+]=[N-] 270004a_100000744732_100000238508 [0,2,0,0,0,0|2,0,0]=4 7410 B16R1.693 CC(Cc1ccncc1)NCCOCCO 270004a_100000211614_100000238508 [0,2,0,0,0,0|2,0,0]=4 7411 B16R1.693 CC(Cc1ccncc1)NCCSCCO 270004a_100011219999_100000238508 [0,2,0,0,0,0|2,0,0]=4 7412 B16R1.693 CC/C=C\CCNC(C)Cc1ccccn1 2230a_100000238496_100015370543 [0,2,0,0,0,0|2,0,0]=4 7413 B16R1.693 CC/C=C\CCNC(C)Cc1cccnc1 2230a_100011207255_100015370543 [0,2,0,0,0,0|2,0,0]=4 7414 B16R1.693 CC/C=C\CCOC(C)Cc1ccccc1 34a_100000748627_100015370543 [0,2,0,0,0,0|2,0,0]=4 7415 B16R1.693 CC/C=C\CCOC(C)Cc1ccccc1 34a_100016288707_200011218536 [0,2,0,0,0,0|2,0,0]=4 7416 B16R1.693 CC/C=C\CCOC(C)Cc1ccccc1 7a_100000748627_100015370543 [0,2,0,0,0,0|2,0,0]=4 7417 B16R1.693 CC/C=C\CCOC(C)Cc1ccccc1 7a_100016288707_200011218536 [0,2,0,0,0,0|2,0,0]=4 7418 B16R1.693 CC/C=C\CCSC(C)Cc1ccccc1 62a_100015370543_200011218536 [0,2,0,0,0,0|2,0,0]=4 7419 B16R1.693 CC/C=C\CCSC(C)Cc1ccccc1 62a_200011218536_100015370543 [0,2,0,0,0,0|2,0,0]=4 7420 B16R1.693 CC=CCCCOC(C)Cc1ccccc1 34a_100020645299_200011218536 [0,2,0,0,0,0|2,0,0]=4 7421 B16R1.693 CCC#CCCOC(C)Cc1ccccc1 34a_100000036655_200011218536 [0,2,0,0,0,0|2,0,0]=4 7422 B16R1.693 CCC#CCCOC(C)Cc1ccccc1 7a_100000036655_200011218536 [0,2,0,0,0,0|2,0,0]=4 7423 B16R1.693 CCC/C=C/COC(C)Cc1ccccc1 34a_100016278788_200011218536 [0,2,0,0,0,0|2,0,0]=4 7424 B16R1.693 CCC/C=C/COC(C)Cc1ccccc1 7a_100016278788_200011218536 [0,2,0,0,0,0|2,0,0]=4 7425 B16R1.693 CCCC#CCOC(C)Cc1ccccc1 34a_100000034806_200011218536 [0,2,0,0,0,0|2,0,0]=4 7426 B16R1.693 CCCC#CCOC(C)Cc1ccccc1 7a_100000034806_200011218536 [0,2,0,0,0,0|2,0,0]=4 7427 B16R1.693 CCCCCCNC(C)C[n+]1ccccc1 270004a_100000210581_100000034229 [0,2,0,0,0,0|2,0,0]=4 7428 B16R1.693 CCCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210314 [0,2,0,0,0,0|2,0,0]=4 7429 B16R1.693 CCCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210314 [0,2,0,0,0,0|2,0,0]=4 7430 B16R1.693 CCCCCCNC(C)Cc1cccnc1 270004a_100000210581_100015187140 [0,2,0,0,0,0|2,0,0]=4 7431 B16R1.693 CCCCCCNC(C)Cc1ccncc1 270004a_100000210581_100000238508 [0,2,0,0,0,0|2,0,0]=4 7432 B16R1.693 CCCCCCOC(C)Cc1ccccc1 34a_100000210259_200011218536 [0,2,0,0,0,0|2,0,0]=4 7433 B16R1.693 CCCCCCOC(C)Cc1ccccc1 34a_100000748627_100000210314 [0,2,0,0,0,0|2,0,0]=4 7434 B16R1.693 CCCCCCOC(C)Cc1ccccc1 7a_100000210259_200011218536 [0,2,0,0,0,0|2,0,0]=4 7435 B16R1.693 CCCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210314 [0,2,0,0,0,0|2,0,0]=4 7436 B16R1.693 CCCCCCSC(C)Cc1ccccc1 62a_100000210314_200011218536 [0,2,0,0,0,0|2,0,0]=4 7437 B16R1.693 CCCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210757 [0,2,0,0,0,0|2,0,0]=4 7438 B16R1.693 CCCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210326 [0,2,0,0,0,0|2,0,0]=4 7439 B16R1.693 CCCCCNCC(C)Oc1ccccc1 34a_100000755676_100000718602 [0,2,0,0,0,0|2,0,0]=4 7440 B16R1.693 CCCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210326 [0,2,0,0,0,0|2,0,0]=4 7441 B16R1.693 CCCCCNC[C@@H](O)Cc1ccccc1 2230a_100000209983_100000729385 [0,2,0,0,0,0|2,0,0]=4 7442 B16R1.693 CCCCCOCC(C)Cc1ccccc1 34a_100012125295_100000718602 [0,2,0,0,0,0|2,0,0]=4 7443 B16R1.693 CCCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210326 [0,2,0,0,0,0|2,0,0]=4 7444 B16R1.693 CCCCNCCN(C)Cc1ccccc1 2230a_100000102301_100015196923 [0,2,0,0,0,0|2,0,0]=4 7445 B16R1.693 CCCCNCCN(C)Cc1ccccc1 7a_106832991798_100015196923 [0,2,0,0,0,0|2,0,0]=4 7446 B16R1.693 CCCCOCNC(C)Cc1ccccn1 2230a_100000238496_100011995733 [0,2,0,0,0,0|2,0,0]=4 7447 B16R1.693 CCCCOCNC(C)Cc1cccnc1 2230a_100011207255_100011995733 [0,2,0,0,0,0|2,0,0]=4 7448 B16R1.693 CCCCOCOC(C)Cc1ccccc1 34a_100000748627_100011995733 [0,2,0,0,0,0|2,0,0]=4 7449 B16R1.693 CCCCOCSC(C)Cc1ccccc1 62a_100011995733_200011218536 [0,2,0,0,0,0|2,0,0]=4 7450 B16R1.693 CCCCOCSC(C)Cc1ccccc1 62a_200011218536_100011995733 [0,2,0,0,0,0|2,0,0]=4 7451 B16R1.693 CCCOCCNC(C)C[n+]1ccccc1 270004a_100161115042_100000034229 [0,2,0,0,0,0|2,0,0]=4 7452 B16R1.693 CCCOCCNC(C)Cc1ccccc1 34a_100161115042_200011218536 [0,2,0,0,0,0|1,0,0]=3 7453 B16R1.693 CCCOCCNC(C)Cc1ccccn1 2230a_100000238496_100011215938 [0,2,0,0,0,0|2,0,0]=4 7454 B16R1.693 CCCOCCNC(C)Cc1cccnc1 2230a_100011207255_100011215938 [0,2,0,0,0,0|2,0,0]=4 7455 B16R1.693 CCCOCCNC(C)Cc1cccnc1 270004a_100161115042_100015187140 [0,2,0,0,0,0|2,0,0]=4 7456 B16R1.693 CCCOCCNC(C)Cc1ccncc1 270004a_100161115042_100000238508 [0,2,0,0,0,0|2,0,0]=4 7457 B16R1.693 CCCOCCOC(C)Cc1ccccc1 34a_100000748627_100011215938 [0,2,0,0,0,0|2,0,0]=4 7458 B16R1.693 CCCOCCOC(C)Cc1ccccc1 34a_100000752267_200011218536 [0,2,0,0,0,0|2,0,0]=4 7459 B16R1.693 CCCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215938 [0,2,0,0,0,0|2,0,0]=4 7460 B16R1.693 CCCOCCOC(C)Cc1ccccc1 7a_100000752267_200011218536 [0,2,0,0,0,0|2,0,0]=4 7461 B16R1.693 CCCOCCSC(C)Cc1ccccc1 62a_100011215938_200011218536 [0,2,0,0,0,0|2,0,0]=4 7462 B16R1.693 CCCOCCSC(C)Cc1ccccc1 62a_200011218536_100011215938 [0,2,0,0,0,0|2,0,0]=4 7463 B16R1.693 CCCSCCNC(C)C[n+]1ccccc1 270004a_100020603323_100000034229 [0,2,0,0,0,0|2,0,0]=4 7464 B16R1.693 CCCSCCNC(C)Cc1cccnc1 270004a_100020603323_100015187140 [0,2,0,0,0,0|2,0,0]=4 7465 B16R1.693 CCCSCCNC(C)Cc1ccncc1 270004a_100020603323_100000238508 [0,2,0,0,0,0|2,0,0]=4 7466 B16R1.693 CCCSCCOC(C)Cc1ccccc1 34a_200000230433_200011218536 [0,2,0,0,0,0|2,0,0]=4 7467 B16R1.693 CCCSCCOC(C)Cc1ccccc1 7a_200000230433_200011218536 [0,2,0,0,0,0|2,0,0]=4 7468 B16R1.693 CCOCCCNC(C)C[n+]1ccccc1 270004a_100000210961_100000034229 [0,2,0,0,0,0|2,0,0]=4 7469 B16R1.693 CCOCCCNC(C)Cc1ccccc1 34a_100000210961_200011218536 [0,2,0,0,0,0|1,0,0]=3 7470 B16R1.693 CCOCCCNC(C)Cc1ccccn1 2230a_100000238496_100012232248 [0,2,0,0,0,0|2,0,0]=4 7471 B16R1.693 CCOCCCNC(C)Cc1cccnc1 2230a_100011207255_100012232248 [0,2,0,0,0,0|2,0,0]=4 7472 B16R1.693 CCOCCCNC(C)Cc1cccnc1 270004a_100000210961_100015187140 [0,2,0,0,0,0|2,0,0]=4 7473 B16R1.693 CCOCCCNC(C)Cc1ccncc1 270004a_100000210961_100000238508 [0,2,0,0,0,0|2,0,0]=4 7474 B16R1.693 CCOCCCOC(C)Cc1ccccc1 34a_100000748627_100012232248 [0,2,0,0,0,0|2,0,0]=4 7475 B16R1.693 CCOCCCOC(C)Cc1ccccc1 34a_100000757476_200011218536 [0,2,0,0,0,0|2,0,0]=4 7476 B16R1.693 CCOCCCOC(C)Cc1ccccc1 7a_100000748627_100012232248 [0,2,0,0,0,0|2,0,0]=4 7477 B16R1.693 CCOCCCOC(C)Cc1ccccc1 7a_100000757476_200011218536 [0,2,0,0,0,0|2,0,0]=4 7478 B16R1.693 CCOCCCSC(C)Cc1ccccc1 62a_100012232248_200011218536 [0,2,0,0,0,0|2,0,0]=4 7479 B16R1.693 CCOCCCSC(C)Cc1ccccc1 62a_200011218536_100012232248 [0,2,0,0,0,0|2,0,0]=4 7480 B16R1.693 CCOCCNCC(C)Oc1ccccc1 2230a_100000755676_100011215890 [0,2,0,0,0,0|2,0,0]=4 7481 B16R1.693 CCOCCNCC(C)Oc1ccccc1 34a_100000755676_100000210147 [0,2,0,0,0,0|2,0,0]=4 7482 B16R1.693 CCOCCNCC(O)Cc1ccccc1 2230a_100000752270_100011215890 [0,2,0,0,0,0|2,0,0]=4 7483 B16R1.693 CCOCCNC[C@@H](O)Cc1ccccc1 2230a_102516460346_100000729385 [0,2,0,0,0,0|2,0,0]=4 7484 B16R1.693 CCOCCNC[C@@H](O)Cc1ccccc1 34a_102516460346_100000729385 [0,2,0,0,0,0|2,0,0]=4 7485 B16R1.693 CCOCCOCC(C)Cc1ccccc1 34a_100012125295_100000210147 [0,2,0,0,0,0|2,0,0]=4 7486 B16R1.693 CCOCCOCC(C)Cc1ccccc1 7a_100012125295_100011215890 [0,2,0,0,0,0|2,0,0]=4 7487 B16R1.693 CCSCCCOC(C)Cc1ccccc1 34a_100011216438_200011218536 [0,2,0,0,0,0|2,0,0]=4 7488 B16R1.693 CCSCCCOC(C)Cc1ccccc1 7a_100011216438_200011218536 [0,2,0,0,0,0|2,0,0]=4 7489 B16R1.693 CCSCCNCC(C)Oc1ccccc1 2230a_100000755676_100000757381 [0,2,0,0,0,0|2,0,0]=4 7490 B16R1.693 CCSCCNCC(C)Oc1ccccc1 34a_100000755676_100000757381 [0,2,0,0,0,0|2,0,0]=4 7491 B16R1.693 CCSCCNCC(O)Cc1ccccc1 2230a_100000752270_100000757381 [0,2,0,0,0,0|2,0,0]=4 7492 B16R1.693 CCSCCNC[C@@H](O)Cc1ccccc1 2230a_100000106463_100000729385 [0,2,0,0,0,0|2,0,0]=4 7493 B16R1.693 CCSCCOCC(C)Cc1ccccc1 34a_100012125295_100000757381 [0,2,0,0,0,0|2,0,0]=4 7494 B16R1.693 CCSCCOCC(C)Cc1ccccc1 7a_100012125295_100000757381 [0,2,0,0,0,0|2,0,0]=4 7495 B16R1.693 CN(CCNCCCF)Cc1ccccc1 2230a_100015189416_100015196923 [0,2,0,0,0,0|1,1,0]=4 7496 B16R1.693 CN(CCNCCCF)Cc1ccccc1 34a_100015189416_100015196923 [0,2,0,0,0,0|1,1,0]=4 7497 B16R1.693 CN(CCOCCCCl)Cc1ccccc1 34a_100000230001_100015196923 [0,2,0,0,0,0|2,0,0]=4 7498 B16R1.693 COCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000730899 [0,2,0,0,0,0|2,0,0]=4 7499 B16R1.693 COCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000730899 [0,2,0,0,0,0|2,0,0]=4 7500 B16R1.693 COCCCCOC(C)Cc1ccccc1 34a_100000740925_200011218536 [0,2,0,0,0,0|2,0,0]=4 7501 B16R1.693 COCCCCOC(C)Cc1ccccc1 34a_100000748627_100000755781 [0,2,0,0,0,0|2,0,0]=4 7502 B16R1.693 COCCCCOC(C)Cc1ccccc1 7a_100000748627_100000730899 [0,2,0,0,0,0|2,0,0]=4 7503 B16R1.693 COCCCCSC(C)Cc1ccccc1 62a_100000730899_200011218536 [0,2,0,0,0,0|2,0,0]=4 7504 B16R1.693 COCCCCSC(C)Cc1ccccc1 62a_200011218536_100000730899 [0,2,0,0,0,0|2,0,0]=4 7505 B16R1.693 COCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000740836 [0,2,0,0,0,0|2,0,0]=4 7506 B16R1.693 COCCCNCC(C)Oc1ccccc1 34a_100000755676_100000740836 [0,2,0,0,0,0|2,0,0]=4 7507 B16R1.693 COCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000740836 [0,2,0,0,0,0|2,0,0]=4 7508 B16R1.693 COCCCNC[C@@H](O)Cc1ccccc1 34a_100150723488_100000729385 [0,2,0,0,0,0|2,0,0]=4 7509 B16R1.693 COCCCOCC(C)Cc1ccccc1 34a_100012125295_100000740836 [0,2,0,0,0,0|2,0,0]=4 7510 B16R1.693 COCCCOCC(C)Cc1ccccc1 7a_100012125295_100000740836 [0,2,0,0,0,0|2,0,0]=4 7511 B16R1.693 COCCOCNC(C)Cc1ccccn1 2230a_100000238496_100000231047 [0,2,0,0,0,0|2,0,0]=4 7512 B16R1.693 COCCOCNC(C)Cc1cccnc1 2230a_100011207255_100000231047 [0,2,0,0,0,0|2,0,0]=4 7513 B16R1.693 COCCOCSC(C)Cc1ccccc1 62a_100000231047_200011218536 [0,2,0,0,0,0|2,0,0]=4 7514 B16R1.693 COCCOCSC(C)Cc1ccccc1 62a_200011218536_100000231047 [0,2,0,0,0,0|2,0,0]=4 7515 B16R1.693 CSCCCCOC(C)Cc1ccccc1 34a_100011217163_200011218536 [0,2,0,0,0,0|2,0,0]=4 7516 B16R1.693 CSCCCCOC(C)Cc1ccccc1 7a_100011217163_200011218536 [0,2,0,0,0,0|2,0,0]=4 7517 B16R1.693 CSCCCNC[C@@H](O)Cc1ccccc1 2230a_100000749238_100000729385 [0,2,0,0,0,0|2,0,0]=4 7518 B16R1.693 N#CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000687738 [0,2,0,0,0,0|2,0,0]=4 7519 B16R1.693 O=CCCCNCC(O)Cc1ccccc1 2230a_100000752270_200011292268 [0,2,0,0,0,0|2,0,0]=4 7520 B16R1.693 OC(CNCCCCF)Cc1ccccc1 2230a_100000752270_100000729493 [0,2,0,0,0,0|1,1,0]=4 7521 B16R1.693 OCCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210776 [0,2,0,0,0,0|2,0,0]=4 7522 B16R1.693 OCCCCNC[C@@H](O)Cc1ccccc1 2230a_100000750430_100000729385 [0,2,0,0,0,0|2,0,0]=4 7523 B16R1.693 OCCCCNC[C@@H](O)Cc1ccccc1 34a_100000750430_100000729385 [0,2,0,0,0,0|2,0,0]=4 7524 B16R1.693 O[C@H](COCCCCCl)Cc1ccccc1 34a_100000210776_100000729385 [0,2,0,0,0,0|2,0,0]=4 7525 B16R1.693 O[C@H](COCCCCCl)Cc1ccccc1 7a_100000210776_100000729385 [0,2,0,0,0,0|2,0,0]=4 7526 B16R1.705 C#CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000695029 [0,2,0,0,0,0|2,0,0]=4 7527 B16R1.705 C=CCCCNC(C)C(=O)c1ccccc1 2230a_100000700776_100000239700 [0,2,0,0,0,0|1,0,1]=4 7528 B16R1.705 C=CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000757094 [0,2,0,0,0,0|2,0,0]=4 7529 B16R1.705 CC(CNCCCF)N(C)c1ccccc1 2230a_100000245588_100011934791 [0,2,0,0,0,0|1,1,0]=4 7530 B16R1.705 CC(CNCCCO)N(C)c1ccccc1 2230a_100000245588_100000230001 [0,2,0,0,0,0|2,0,0]=4 7531 B16R1.705 CC(NCCCCO)C(=O)c1ccccc1 2230a_100000750430_100000239700 [0,2,0,0,0,0|1,0,1]=4 7532 B16R1.705 CC(OCCCCCl)C(=O)c1ccccc1 7a_100000210776_100000239700 [0,2,0,0,0,0|1,0,1]=4 7533 B16R1.705 CCCCCNC(C)C(=O)c1ccccc1 2230a_100000209983_100000239700 [0,2,0,0,0,0|1,0,1]=4 7534 B16R1.705 CCCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000718602 [0,2,0,0,0,0|2,0,0]=4 7535 B16R1.705 CCCCNCC(C)N(C)c1ccccc1 2230a_100000245588_100000210211 [0,2,0,0,0,0|2,0,0]=4 7536 B16R1.705 CCOCCNC(C)C(=O)c1ccccc1 2230a_102516460346_100000239700 [0,2,0,0,0,0|1,0,1]=4 7537 B16R1.705 CCOCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210147 [0,2,0,0,0,0|2,0,0]=4 7538 B16R1.705 CCSCCNC(C)C(=O)c1ccccc1 2230a_100000106463_100000239700 [0,2,0,0,0,0|1,0,1]=4 7539 B16R1.705 CCSCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000757381 [0,2,0,0,0,0|2,0,0]=4 7540 B16R1.705 COCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000740836 [0,2,0,0,0,0|2,0,0]=4 7541 B16R1.705 CSCCCNC(C)C(=O)c1ccccc1 2230a_100000749238_100000239700 [0,2,0,0,0,0|1,0,1]=4 7542 B16R1.705 C[C@H](OCCCCF)[C@@H](N)c1ccccc1 34a_100134616770_100000729493 [0,2,0,0,0,0|1,1,0]=4 7543 B16R1.705 C[C@H](OCCCCO)[C@@H](N)c1ccccc1 34a_100134616770_100011216708 [0,2,0,0,0,0|2,0,0]=4 7544 B16R1.934 C=CCC(C)COC(C)Cc1ccccc1 34a_100009832082_200011218536 [0,2,0,0,0,0|2,0,0]=4 7545 B16R1.934 C=CCC(C)COC(C)Cc1ccccc1 7a_100009832082_200011218536 [0,2,0,0,0,0|2,0,0]=4 7546 B16R1.934 C=CC[C@@H](N)COC(C)Cc1ccccc1 34a_100020615467_200011218536 [0,2,0,0,0,0|2,0,0]=4 7547 B16R1.934 CC(CCN)COC(C)Cc1ccccc1 34a_106354213184_200011218536 [0,2,0,0,0,0|2,0,0]=4 7548 B16R1.934 CC(CCO)NCC(C)Oc1ccccc1 2230a_100000755676_100009893172 [0,2,0,0,0,0|2,0,0]=4 7549 B16R1.934 CC(CCO)NCC(C)Oc1ccccc1 34a_100000755676_100009893172 [0,2,0,0,0,0|2,0,0]=4 7550 B16R1.934 CC(CCO)NCC(O)Cc1ccccc1 2230a_100000752270_100009893172 [0,2,0,0,0,0|2,0,0]=4 7551 B16R1.934 CC(COC(C)CCO)Cc1ccccc1 34a_100012125295_100009893172 [0,2,0,0,0,0|2,0,0]=4 7552 B16R1.934 CC(COC(C)CCO)Cc1ccccc1 7a_100012125295_100009893172 [0,2,0,0,0,0|2,0,0]=4 7553 B16R1.934 CC(Cc1ccccc1)OC[C@@H](O)CC#N 7a_100000748627_100000001066 [0,2,0,0,0,0|2,0,0]=4 7554 B16R1.934 CC(Cc1ccccc1)SC[C@@H](O)CC#N 62a_100000001066_200011218536 [0,2,0,0,0,0|2,0,0]=4 7555 B16R1.934 CC(Cc1ccccc1)SC[C@@H](O)CC#N 62a_200011218536_100000001066 [0,2,0,0,0,0|2,0,0]=4 7556 B16R1.934 CC(Cc1ccccn1)NC[C@@H](O)CC#N 2230a_100000238496_100000001066 [0,2,0,0,0,0|2,0,0]=4 7557 B16R1.934 CC(Cc1cccnc1)NC[C@@H](O)CC#N 2230a_100011207255_100000001066 [0,2,0,0,0,0|2,0,0]=4 7558 B16R1.934 CCCC(=O)CNC(C)Cc1ccccn1 2230a_100000238496_100000747444 [0,2,0,0,0,0|2,0,0]=4 7559 B16R1.934 CCCC(=O)CNC(C)Cc1cccnc1 2230a_100011207255_100000747444 [0,2,0,0,0,0|2,0,0]=4 7560 B16R1.934 CCCC(=O)COC(C)Cc1ccccc1 7a_100000748627_100000747444 [0,2,0,0,0,0|2,0,0]=4 7561 B16R1.934 CCCC(=O)CSC(C)Cc1ccccc1 62a_100000747444_200011218536 [0,2,0,0,0,0|2,0,0]=4 7562 B16R1.934 CCCC(=O)CSC(C)Cc1ccccc1 62a_200011218536_100000747444 [0,2,0,0,0,0|2,0,0]=4 7563 B16R1.934 CCCC(C)CNC(C)Cc1ccccn1 2230a_100000238496_100011216630 [0,2,0,0,0,0|2,0,0]=4 7564 B16R1.934 CCCC(C)CNC(C)Cc1ccccn1 270004a_100000238496_100000243154 [0,2,0,0,0,0|2,0,0]=4 7565 B16R1.934 CCCC(C)CNC(C)Cc1cccnc1 2230a_100011207255_100011216630 [0,2,0,0,0,0|2,0,0]=4 7566 B16R1.934 CCCC(C)CNC(C)Cc1cccnc1 270004a_100011207255_100000243154 [0,2,0,0,0,0|2,0,0]=4 7567 B16R1.934 CCCC(C)COC(C)Cc1ccccc1 34a_100000688023_200011218536 [0,2,0,0,0,0|2,0,0]=4 7568 B16R1.934 CCCC(C)COC(C)Cc1ccccc1 34a_100000748627_100011216630 [0,2,0,0,0,0|2,0,0]=4 7569 B16R1.934 CCCC(C)COC(C)Cc1ccccc1 7a_100000688023_200011218536 [0,2,0,0,0,0|2,0,0]=4 7570 B16R1.934 CCCC(C)COC(C)Cc1ccccc1 7a_100000748627_100011216630 [0,2,0,0,0,0|2,0,0]=4 7571 B16R1.934 CCCC(C)CSC(C)Cc1ccccc1 62a_100011216630_200011218536 [0,2,0,0,0,0|2,0,0]=4 7572 B16R1.934 CCCC(C)CSC(C)Cc1ccccc1 62a_200011218536_100011216630 [0,2,0,0,0,0|2,0,0]=4 7573 B16R1.934 CCCC(C)NCC(C)Oc1ccccc1 2230a_100000755676_100000766640 [0,2,0,0,0,0|2,0,0]=4 7574 B16R1.934 CCCC(C)NCC(C)Oc1ccccc1 270004a_100000755676_100000211909 [0,2,0,0,0,0|2,0,0]=4 7575 B16R1.934 CCCC(C)NCC(C)Oc1ccccc1 34a_100000755676_100000766640 [0,2,0,0,0,0|2,0,0]=4 7576 B16R1.934 CCCC(C)NCC(O)Cc1ccccc1 2230a_100000752270_100000766640 [0,2,0,0,0,0|2,0,0]=4 7577 B16R1.934 CCCC(C)NCC(O)Cc1ccccc1 270004a_100000752270_100000211909 [0,2,0,0,0,0|2,0,0]=4 7578 B16R1.934 CCCC(C)NC[C@@H](O)Cc1ccccc1 2230a_100000741246_100000729385 [0,2,0,0,0,0|2,0,0]=4 7579 B16R1.934 CCCC(C)OCC(C)Cc1ccccc1 34a_100012125295_100000766640 [0,2,0,0,0,0|2,0,0]=4 7580 B16R1.934 CCCC(C)OCC(C)Cc1ccccc1 7a_100012125295_100000766640 [0,2,0,0,0,0|2,0,0]=4 7581 B16R1.934 CCC[C@H](N)COC(C)Cc1ccccc1 34a_100000732646_200011218536 [0,2,0,0,0,0|2,0,0]=4 7582 B16R1.934 COCC(N)COC(C)Cc1ccccc1 34a_100000724102_200011218536 [0,2,0,0,0,0|2,0,0]=4 7583 B16R1.934 COCC(O)CNC(C)C[n+]1ccccc1 270004a_100000756049_100000034229 [0,2,0,0,0,0|2,0,0]=4 7584 B16R1.934 COCC(O)CNC(C)Cc1ccccc1 34a_100000756049_200011218536 [0,2,0,0,0,0|1,0,0]=3 7585 B16R1.934 COCC(O)CNC(C)Cc1cccnc1 270004a_100000756049_100015187140 [0,2,0,0,0,0|2,0,0]=4 7586 B16R1.934 COCC(O)CNC(C)Cc1ccncc1 270004a_100000756049_100000238508 [0,2,0,0,0,0|2,0,0]=4 7587 B16R1.934 COCC(O)COC(C)Cc1ccccc1 34a_100000748627_100011215053 [0,2,0,0,0,0|2,0,0]=4 7588 B16R1.934 COCC(O)COC(C)Cc1ccccc1 7a_100000748627_100011215053 [0,2,0,0,0,0|2,0,0]=4 7589 B16R1.934 COCC(O)CSC(C)Cc1ccccc1 62a_100011215053_200011218536 [0,2,0,0,0,0|2,0,0]=4 7590 B16R1.934 COCC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011215053 [0,2,0,0,0,0|2,0,0]=4 7591 B16R1.934 C[C@H](CCO)NC[C@@H](O)Cc1ccccc1 2230a_100000706166_100000729385 [0,2,0,0,0,0|2,0,0]=4 7592 B16R1.934 C[C@H](CCO)NC[C@@H](O)Cc1ccccc1 34a_100000706166_100000729385 [0,2,0,0,0,0|2,0,0]=4 7593 B16R1.1329 CC(CNCC(O)CO)Oc1ccccc1 2230a_100000755676_100011219619 [0,2,0,0,0,0|2,0,0]=4 7594 B16R1.1329 CC(CNCC(O)CO)Oc1ccccc1 34a_100000755676_100011219619 [0,2,0,0,0,0|2,0,0]=4 7595 B16R1.1329 CC(CNC[C@@H](C)CO)Oc1ccccc1 2230a_100000755676_100000059175 [0,2,0,0,0,0|2,0,0]=4 7596 B16R1.1329 CC(CNC[C@@H](C)CO)Oc1ccccc1 34a_100000755676_100000059175 [0,2,0,0,0,0|2,0,0]=4 7597 B16R1.1329 CC(CNC[C@@H](O)CF)Oc1ccccc1 2230a_100000755676_100015614560 [0,2,0,0,0,0|1,1,0]=4 7598 B16R1.1329 CC(CNC[C@@H](O)CF)Oc1ccccc1 34a_100000755676_100015614560 [0,2,0,0,0,0|1,1,0]=4 7599 B16R1.1329 CC(CNC[C@@H](O)CO)Oc1ccccc1 2230a_100000755676_100009815848 [0,2,0,0,0,0|2,0,0]=4 7600 B16R1.1329 CC(CNC[C@@H](O)CO)Oc1ccccc1 34a_100000755676_100009815848 [0,2,0,0,0,0|2,0,0]=4 7601 B16R1.1329 CC(CO)CCNC(C)C[n+]1ccccc1 270004a_106354213184_100000034229 [0,2,0,0,0,0|2,0,0]=4 7602 B16R1.1329 CC(CO)CCNC(C)Cc1ccccc1 34a_106354213184_200011218536 [0,2,0,0,0,0|1,0,0]=3 7603 B16R1.1329 CC(CO)CCNC(C)Cc1cccnc1 270004a_106354213184_100015187140 [0,2,0,0,0,0|2,0,0]=4 7604 B16R1.1329 CC(CO)CCNC(C)Cc1ccncc1 270004a_106354213184_100000238508 [0,2,0,0,0,0|2,0,0]=4 7605 B16R1.1329 CC(CO)CNC[C@@H](O)Cc1ccccc1 34a_100000744482_100000729385 [0,2,0,0,0,0|2,0,0]=4 7606 B16R1.1329 CC(COCC(O)CO)Cc1ccccc1 34a_100012125295_100011219619 [0,2,0,0,0,0|2,0,0]=4 7607 B16R1.1329 CC(COCC(O)CO)Cc1ccccc1 7a_100012125295_100011219619 [0,2,0,0,0,0|2,0,0]=4 7608 B16R1.1329 CC(COC[C@@H](C)CO)Cc1ccccc1 34a_100012125295_100000059175 [0,2,0,0,0,0|2,0,0]=4 7609 B16R1.1329 CC(COC[C@@H](C)CO)Cc1ccccc1 7a_100012125295_100000059175 [0,2,0,0,0,0|2,0,0]=4 7610 B16R1.1329 CC(COC[C@@H](O)CF)Cc1ccccc1 34a_100012125295_100015614560 [0,2,0,0,0,0|1,1,0]=4 7611 B16R1.1329 CC(COC[C@@H](O)CF)Cc1ccccc1 7a_100012125295_100015614560 [0,2,0,0,0,0|1,1,0]=4 7612 B16R1.1329 CC(COC[C@@H](O)CO)Cc1ccccc1 34a_100012125295_100009815848 [0,2,0,0,0,0|2,0,0]=4 7613 B16R1.1329 CC(COC[C@@H](O)CO)Cc1ccccc1 7a_100012125295_100009815848 [0,2,0,0,0,0|2,0,0]=4 7614 B16R1.1329 CCC(C)CCNC(C)C[n+]1ccccc1 270004a_100020591266_100000034229 [0,2,0,0,0,0|2,0,0]=4 7615 B16R1.1329 CCC(C)CCNC(C)Cc1cccnc1 270004a_100020591266_100015187140 [0,2,0,0,0,0|2,0,0]=4 7616 B16R1.1329 CCC(C)CCNC(C)Cc1ccncc1 270004a_100020591266_100000238508 [0,2,0,0,0,0|2,0,0]=4 7617 B16R1.1329 CCC(C)CCOC(C)Cc1ccccc1 7a_100011215188_200011218536 [0,2,0,0,0,0|2,0,0]=4 7618 B16R1.1329 CCC(C)CNCC(C)Oc1ccccc1 2230a_100000755676_100000748023 [0,2,0,0,0,0|2,0,0]=4 7619 B16R1.1329 CCC(C)CNCC(C)Oc1ccccc1 270004a_100000755676_100000243153 [0,2,0,0,0,0|2,0,0]=4 7620 B16R1.1329 CCC(C)CNCC(C)Oc1ccccc1 34a_100000755676_100000748023 [0,2,0,0,0,0|2,0,0]=4 7621 B16R1.1329 CCC(C)CNCC(O)Cc1ccccc1 2230a_100000752270_100000748023 [0,2,0,0,0,0|2,0,0]=4 7622 B16R1.1329 CCC(C)CNCC(O)Cc1ccccc1 270004a_100000752270_100000243153 [0,2,0,0,0,0|2,0,0]=4 7623 B16R1.1329 CCC(C)CNC[C@@H](O)Cc1ccccc1 2230a_100020588543_100000729385 [0,2,0,0,0,0|2,0,0]=4 7624 B16R1.1329 CCC(C)COCC(C)Cc1ccccc1 34a_100012125295_100000748023 [0,2,0,0,0,0|2,0,0]=4 7625 B16R1.1329 CCC(C)COCC(C)Cc1ccccc1 7a_100012125295_100000748023 [0,2,0,0,0,0|2,0,0]=4 7626 B16R1.1329 CCC(O)CNCC(C)Oc1ccccc1 2230a_100000755676_100011218378 [0,2,0,0,0,0|2,0,0]=4 7627 B16R1.1329 CCC(O)CNCC(C)Oc1ccccc1 34a_100000755676_100011218378 [0,2,0,0,0,0|2,0,0]=4 7628 B16R1.1329 CCC(O)CNCC(O)Cc1ccccc1 2230a_100000752270_100011218378 [0,2,0,0,0,0|2,0,0]=4 7629 B16R1.1329 CCC(O)CNC[C@@H](O)Cc1ccccc1 2230a_100011218483_100000729385 [0,2,0,0,0,0|2,0,0]=4 7630 B16R1.1329 CCC(O)COCC(C)Cc1ccccc1 34a_100012125295_100011218378 [0,2,0,0,0,0|2,0,0]=4 7631 B16R1.1329 CCC(O)COCC(C)Cc1ccccc1 7a_100012125295_100011218378 [0,2,0,0,0,0|2,0,0]=4 7632 B16R1.1329 CC[C@H](C)CNCC(C)Oc1ccccc1 2230a_100000755676_100009816398 [0,2,0,0,0,0|2,0,0]=4 7633 B16R1.1329 CC[C@H](C)CNCC(C)Oc1ccccc1 34a_100000755676_100009816398 [0,2,0,0,0,0|2,0,0]=4 7634 B16R1.1329 CC[C@H](C)CNCC(O)Cc1ccccc1 2230a_100000752270_100009816398 [0,2,0,0,0,0|2,0,0]=4 7635 B16R1.1329 CC[C@H](C)COCC(C)Cc1ccccc1 34a_100012125295_100009816398 [0,2,0,0,0,0|2,0,0]=4 7636 B16R1.1329 CC[C@H](C)COCC(C)Cc1ccccc1 7a_100012125295_100009816398 [0,2,0,0,0,0|2,0,0]=4 7637 B16R1.1329 CNC(=O)CCNC(C)Cc1ccccc1 34a_100000738227_200011218536 [0,2,0,0,0,0|1,0,1]=4 7638 B16R1.1329 COC(C)CCOC(C)Cc1ccccc1 7a_100000764861_200011218536 [0,2,0,0,0,0|2,0,0]=4 7639 B16R1.1329 C[C@@H](CO)CNCC(O)Cc1ccccc1 2230a_100000752270_100000059175 [0,2,0,0,0,0|2,0,0]=4 7640 B16R1.1329 OC(CNC[C@@H](O)CF)Cc1ccccc1 2230a_100000752270_100015614560 [0,2,0,0,0,0|1,1,0]=4 7641 B16R1.1329 OCC(O)CNCC(O)Cc1ccccc1 2230a_100000752270_100011219619 [0,2,0,0,0,0|2,0,0]=4 7642 B16R1.1329 OC[C@@H](O)CNC[C@@H](O)Cc1ccccc1 2230a_100020644852_100000729385 [0,2,0,0,0,0|2,0,0]=4 7643 B16R1.1329 OC[C@H](F)CNC[C@@H](O)Cc1ccccc1 34a_100015665980_100000729385 [0,2,0,0,0,0|2,0,0]=4 7644 B16R1.1329 OC[C@H](O)CNCC(O)Cc1ccccc1 2230a_100000752270_100009815848 [0,2,0,0,0,0|2,0,0]=4 7645 B16R1.1329 O[C@H](COCC(Cl)CCl)Cc1ccccc1 34a_100000033668_100000729385 [0,2,0,0,0,0|2,0,0]=4 7646 B16R1.1407 C#CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000731252 [0,2,0,0,0,0|1,0,1]=4 7647 B16R1.1407 C#CCCCNC(CC)Cc1ccccc1 270004a_100000718082_100000212045 [0,2,0,0,0,0|1,0,0]=3 7648 B16R1.1407 C#CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000731252 [0,2,0,0,0,0|1,0,0]=3 7649 B16R1.1407 C#CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000731252 [0,2,0,0,0,0|2,0,0]=4 7650 B16R1.1407 C#CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000731252 [0,2,0,0,0,0|2,0,0]=4 7651 B16R1.1407 C#CCCCOC(CC)Cc1ccccc1 7a_100000760156_100011215417 [0,2,0,0,0,0|2,0,0]=4 7652 B16R1.1407 C#CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000695029 [0,2,0,0,0,0|2,0,0]=4 7653 B16R1.1407 C#CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215417 [0,2,0,0,0,0|2,0,0]=4 7654 B16R1.1407 C#CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000688953 [0,2,0,0,0,0|1,0,1]=4 7655 B16R1.1407 C=CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011713584 [0,2,0,0,0,0|1,0,1]=4 7656 B16R1.1407 C=CCCCNC(CC)Cc1ccccc1 270004a_100000700776_100000212045 [0,2,0,0,0,0|1,0,0]=3 7657 B16R1.1407 C=CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100011713584 [0,2,0,0,0,0|1,0,0]=3 7658 B16R1.1407 C=CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100011713584 [0,2,0,0,0,0|2,0,0]=4 7659 B16R1.1407 C=CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100011713584 [0,2,0,0,0,0|2,0,0]=4 7660 B16R1.1407 C=CCCCOC(CC)Cc1ccccc1 7a_100000760156_100000757094 [0,2,0,0,0,0|2,0,0]=4 7661 B16R1.1407 C=CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000757094 [0,2,0,0,0,0|2,0,0]=4 7662 B16R1.1407 C=CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000757094 [0,2,0,0,0,0|2,0,0]=4 7663 B16R1.1407 C=CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000754431 [0,2,0,0,0,0|1,0,1]=4 7664 B16R1.1407 C=COCCNC(CO)Cc1ccccc1 2230a_100000739027_100000039644 [0,2,0,0,0,0|1,0,1]=4 7665 B16R1.1407 CC/C=C\CNC(CO)Cc1ccccc1 2230a_100000739027_100103147603 [0,2,0,0,0,0|1,0,1]=4 7666 B16R1.1407 CCC#CCNC(CO)Cc1ccccc1 2230a_100000739027_100009813939 [0,2,0,0,0,0|1,0,1]=4 7667 B16R1.1407 CCC(Cc1ccccc1)NCCCCO 270004a_100000750430_100000212045 [0,2,0,0,0,0|1,0,0]=3 7668 B16R1.1407 CCC(Cc1ccccc1)NCCCOC 270004a_100150723488_100000212045 [0,2,0,0,0,0|1,0,0]=3 7669 B16R1.1407 CCC(Cc1ccccc1)NCCCSC 270004a_100000749238_100000212045 [0,2,0,0,0,0|1,0,0]=3 7670 B16R1.1407 CCC(Cc1ccccc1)OCCCC#N 7a_100000760156_100000687738 [0,2,0,0,0,0|2,0,0]=4 7671 B16R1.1407 CCC(Cc1ccccc1)OCCCC=O 7a_100000760156_200011292268 [0,2,0,0,0,0|2,0,0]=4 7672 B16R1.1407 CCC(Cc1ccccc1)OCCCCF 7a_100000760156_100000729493 [0,2,0,0,0,0|1,1,0]=4 7673 B16R1.1407 CCC(Cc1ccccc1)OCCCCO 7a_100000760156_100000210776 [0,2,0,0,0,0|2,0,0]=4 7674 B16R1.1407 CCC(Cc1ccccc1)OCCCOC 7a_100000760156_100000740836 [0,2,0,0,0,0|2,0,0]=4 7675 B16R1.1407 CCCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210326 [0,2,0,0,0,0|1,0,1]=4 7676 B16R1.1407 CCCCCNC(CC)Cc1ccccc1 270004a_100000209983_100000212045 [0,2,0,0,0,0|1,0,0]=3 7677 B16R1.1407 CCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210326 [0,2,0,0,0,0|1,0,0]=3 7678 B16R1.1407 CCCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210326 [0,2,0,0,0,0|2,0,0]=4 7679 B16R1.1407 CCCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210326 [0,2,0,0,0,0|2,0,0]=4 7680 B16R1.1407 CCCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210326 [0,2,0,0,0,0|2,0,0]=4 7681 B16R1.1407 CCCCCOC(CN)Cc1ccccc1 34a_100000752270_100000718602 [0,2,0,0,0,0|2,0,0]=4 7682 B16R1.1407 CCCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210326 [0,2,0,0,0,0|2,0,0]=4 7683 B16R1.1407 CCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210210 [0,2,0,0,0,0|1,0,0]=3 7684 B16R1.1407 CCCCNN=C(CC)Cc1ccccc1 4a_100025702795_100000212045 [0,2,0,0,0,0|1,0,1]=4 7685 B16R1.1407 CCCCOCC(CN)Cc1ccccc1 34a_100160572655_100000210210 [0,2,0,0,0,0|2,0,0]=4 7686 B16R1.1407 CCCCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000210210 [0,2,0,0,0,0|2,0,0]=4 7687 B16R1.1407 CCOCCNC(C#N)Cc1ccccc1 2230a_100000746547_100011215890 [0,2,0,0,0,0|1,0,1]=4 7688 B16R1.1407 CCOCCNC(CC)Cc1ccccc1 270004a_102516460346_100000212045 [0,2,0,0,0,0|1,0,0]=3 7689 B16R1.1407 CCOCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215890 [0,2,0,0,0,0|1,0,0]=3 7690 B16R1.1407 CCOCCNC(CO)Cc1cccnc1 2230a_100000717814_100011215890 [0,2,0,0,0,0|2,0,0]=4 7691 B16R1.1407 CCOCCNC(CO)Cc1ccncc1 2230a_100000717866_100011215890 [0,2,0,0,0,0|2,0,0]=4 7692 B16R1.1407 CCOCCOC(CC)Cc1ccccc1 7a_100000760156_100011215890 [0,2,0,0,0,0|2,0,0]=4 7693 B16R1.1407 CCOCCOC(CN)Cc1ccccc1 34a_100000752270_100000210147 [0,2,0,0,0,0|2,0,0]=4 7694 B16R1.1407 CCOCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215890 [0,2,0,0,0,0|2,0,0]=4 7695 B16R1.1407 CCSCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000757381 [0,2,0,0,0,0|1,0,1]=4 7696 B16R1.1407 CCSCCNC(CC)Cc1ccccc1 270004a_100000106463_100000212045 [0,2,0,0,0,0|1,0,0]=3 7697 B16R1.1407 CCSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000757381 [0,2,0,0,0,0|1,0,0]=3 7698 B16R1.1407 CCSCCNC(CO)Cc1cccnc1 2230a_100000717814_100000757381 [0,2,0,0,0,0|2,0,0]=4 7699 B16R1.1407 CCSCCNC(CO)Cc1ccncc1 2230a_100000717866_100000757381 [0,2,0,0,0,0|2,0,0]=4 7700 B16R1.1407 CCSCCOC(CC)Cc1ccccc1 7a_100000760156_100000757381 [0,2,0,0,0,0|2,0,0]=4 7701 B16R1.1407 CCSCCOC(CN)Cc1ccccc1 34a_100000752270_100000757381 [0,2,0,0,0,0|2,0,0]=4 7702 B16R1.1407 CCSCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000757381 [0,2,0,0,0,0|2,0,0]=4 7703 B16R1.1407 CN[C@H](COCCCF)Cc1ccccc1 34a_100016995599_100011934791 [0,2,0,0,0,0|1,1,0]=4 7704 B16R1.1407 CN[C@H](COCCCO)Cc1ccccc1 34a_100016995599_100000230001 [0,2,0,0,0,0|2,0,0]=4 7705 B16R1.1407 COCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000740836 [0,2,0,0,0,0|1,0,1]=4 7706 B16R1.1407 COCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000740836 [0,2,0,0,0,0|1,0,0]=3 7707 B16R1.1407 COCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000740836 [0,2,0,0,0,0|2,0,0]=4 7708 B16R1.1407 COCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000740836 [0,2,0,0,0,0|2,0,0]=4 7709 B16R1.1407 COCCCOC(CN)Cc1ccccc1 34a_100000752270_100000740836 [0,2,0,0,0,0|2,0,0]=4 7710 B16R1.1407 COCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000740836 [0,2,0,0,0,0|2,0,0]=4 7711 B16R1.1407 COCCNCC(CO)Cc1ccccc1 34a_100160572655_100011201679 [0,2,0,0,0,0|2,0,0]=4 7712 B16R1.1407 CSCCNCC(CO)Cc1ccccc1 34a_100160572655_100000212216 [0,2,0,0,0,0|2,0,0]=4 7713 B16R1.1407 FCCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000729493 [0,2,0,0,0,0|1,1,0]=4 7714 B16R1.1407 N#CC(Cc1ccccc1)NCCCC=O 2230a_100000746547_200011292268 [0,2,0,0,0,0|1,0,1]=4 7715 B16R1.1407 N#CC(Cc1ccccc1)NCCCCF 2230a_100000746547_100000729493 [0,2,0,0,0,0|0,1,1]=4 7716 B16R1.1407 N#CC(Cc1ccccc1)NCCCCO 2230a_100000746547_100000210776 [0,2,0,0,0,0|1,0,1]=4 7717 B16R1.1407 N#CC(Cc1ccccc1)OCCCCCl 7a_100000210776_100000183401 [0,2,0,0,0,0|1,0,1]=4 7718 B16R1.1407 N#CCCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000687738 [0,2,0,0,0,0|1,0,1]=4 7719 B16R1.1407 N#CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000687738 [0,2,0,0,0,0|1,0,0]=3 7720 B16R1.1407 N#CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000687738 [0,2,0,0,0,0|2,0,0]=4 7721 B16R1.1407 N#CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000687738 [0,2,0,0,0,0|2,0,0]=4 7722 B16R1.1407 N#CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000687738 [0,2,0,0,0,0|2,0,0]=4 7723 B16R1.1407 NCC(COCCCF)Cc1ccccc1 34a_100160572655_100011934791 [0,2,0,0,0,0|1,1,0]=4 7724 B16R1.1407 NCC(COCCCO)Cc1ccccc1 34a_100160572655_100000230001 [0,2,0,0,0,0|2,0,0]=4 7725 B16R1.1407 NCC(Cc1ccccc1)OCCCCF 34a_100000752270_100000729493 [0,2,0,0,0,0|1,1,0]=4 7726 B16R1.1407 NCC(Cc1ccccc1)OCCCCO 34a_100000752270_100011216708 [0,2,0,0,0,0|2,0,0]=4 7727 B16R1.1407 O=CCCCNC(CO)Cc1ccccc1 2230a_100000739027_200011292268 [0,2,0,0,0,0|1,0,0]=3 7728 B16R1.1407 O=CCCCNC(CO)Cc1cccnc1 2230a_100000717814_200011292268 [0,2,0,0,0,0|2,0,0]=4 7729 B16R1.1407 O=CCCCNC(CO)Cc1ccncc1 2230a_100000717866_200011292268 [0,2,0,0,0,0|2,0,0]=4 7730 B16R1.1407 O=CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_200011292268 [0,2,0,0,0,0|2,0,0]=4 7731 B16R1.1407 OCC#CCNC(CO)Cc1ccccc1 2230a_100000739027_200000047223 [0,2,0,0,0,0|1,0,1]=4 7732 B16R1.1407 OCC(CNCCCF)Cc1ccccc1 34a_100160572655_100011934791 [0,2,0,0,0,0|0,1,0]=3 7733 B16R1.1407 OCC(Cc1ccccc1)NCCCCF 2230a_100000739027_100000729493 [0,2,0,0,0,0|0,1,0]=3 7734 B16R1.1407 OCC(Cc1cccnc1)NCCCCF 2230a_100000717814_100000729493 [0,2,0,0,0,0|1,1,0]=4 7735 B16R1.1407 OCC(Cc1ccncc1)NCCCCF 2230a_100000717866_100000729493 [0,2,0,0,0,0|1,1,0]=4 7736 B16R1.1407 OCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210776 [0,2,0,0,0,0|1,0,0]=3 7737 B16R1.1407 OCCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210776 [0,2,0,0,0,0|2,0,0]=4 7738 B16R1.1407 OCCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210776 [0,2,0,0,0,0|2,0,0]=4 7739 B16R1.1407 OCCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210776 [0,2,0,0,0,0|2,0,0]=4 7740 B16R1.1407 OCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000230001 [0,2,0,0,0,0|1,0,0]=3 7741 B16R1.1497 C=CCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000762624 [0,2,0,0,0,0|2,0,0]=4 7742 B16R1.1497 C=CCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000762624 [0,2,0,0,0,0|2,0,0]=4 7743 B16R1.1497 C=CCCC(C)OC(C)Cc1ccccc1 34a_100000765329_200011218536 [0,2,0,0,0,0|2,0,0]=4 7744 B16R1.1497 C=CCCC(C)OC(C)Cc1ccccc1 7a_100000765329_200011218536 [0,2,0,0,0,0|2,0,0]=4 7745 B16R1.1497 CC(CCCCl)OC(C)Cc1ccccc1 34a_200000718107_200011218536 [0,2,0,0,0,0|1,0,0]=3 7746 B16R1.1497 CC(CCCCl)OC(C)Cc1ccccc1 7a_200000718107_200011218536 [0,2,0,0,0,0|1,0,0]=3 7747 B16R1.1497 CC(Cc1ccccc1)NC(=O)CCS[13CH3] 62a_200011792965_200025704644 [0,2,0,0,0,0|1,0,1]=4 7748 B16R1.1497 CC(Cc1ccccc1)NC(=O)CCS[13CH3] 62a_200025704644_200011792965 [0,2,0,0,0,0|1,0,1]=4 7749 B16R1.1497 CCCCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000210183 [0,2,0,0,0,0|2,0,0]=4 7750 B16R1.1497 CCCCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000210183 [0,2,0,0,0,0|2,0,0]=4 7751 B16R1.1497 CCCCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000210183 [0,2,0,0,0,0|2,0,0]=4 7752 B16R1.1497 CCCCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000210183 [0,2,0,0,0,0|2,0,0]=4 7753 B16R1.1497 CCCCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000210183 [0,2,0,0,0,0|2,0,0]=4 7754 B16R1.1497 CCCCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000210183 [0,2,0,0,0,0|2,0,0]=4 7755 B16R1.1497 CCCCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000210183 [0,2,0,0,0,0|2,0,0]=4 7756 B16R1.1497 CCCCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000210183 [0,2,0,0,0,0|2,0,0]=4 7757 B16R1.1497 CCCCC(C)NC(C)C[n+]1ccccc1 270004a_100000126638_100000034229 [0,2,0,0,0,0|2,0,0]=4 7758 B16R1.1497 CCCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_200011215066 [0,2,0,0,0,0|2,0,0]=4 7759 B16R1.1497 CCCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000210087 [0,2,0,0,0,0|2,0,0]=4 7760 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_200011215066 [0,2,0,0,0,0|2,0,0]=4 7761 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 270004a_100000126638_100015187140 [0,2,0,0,0,0|2,0,0]=4 7762 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000210087 [0,2,0,0,0,0|2,0,0]=4 7763 B16R1.1497 CCCCC(C)NC(C)Cc1ccncc1 270004a_100000126638_100000238508 [0,2,0,0,0,0|2,0,0]=4 7764 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 34a_100000687866_200011218536 [0,2,0,0,0,0|2,0,0]=4 7765 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 34a_100000748627_200011215066 [0,2,0,0,0,0|2,0,0]=4 7766 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 7a_100000687866_200011218536 [0,2,0,0,0,0|2,0,0]=4 7767 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 7a_100000748627_200011215066 [0,2,0,0,0,0|2,0,0]=4 7768 B16R1.1497 CCCCC(C)SC(C)Cc1ccccc1 62a_200011215066_200011218536 [0,2,0,0,0,0|2,0,0]=4 7769 B16R1.1497 CCCCC(C)SC(C)Cc1ccccc1 62a_200011218536_200011215066 [0,2,0,0,0,0|2,0,0]=4 7770 B16R1.1497 CCCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000207549_100000729385 [0,2,0,0,0,0|2,0,0]=4 7771 B16R1.1497 CCCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000207549_100000729385 [0,2,0,0,0,0|2,0,0]=4 7772 B16R1.1497 CCOCC(C)OC(C)Cc1ccccc1 34a_100000718985_200011218536 [0,2,0,0,0,0|2,0,0]=4 7773 B16R1.1497 CCOCC(C)OC(C)Cc1ccccc1 7a_100000718985_200011218536 [0,2,0,0,0,0|2,0,0]=4 7774 B16R1.1497 CCSCC(C)NC(C)Cc1ccccn1 270004a_100000238496_200011216171 [0,2,0,0,0,0|2,0,0]=4 7775 B16R1.1497 CCSCC(C)NC(C)Cc1cccnc1 270004a_100011207255_200011216171 [0,2,0,0,0,0|2,0,0]=4 7776 B16R1.1497 CN(CCCO)C[C@@H](O)Cc1ccccc1 2230a_100000213112_100000729385 [0,2,0,0,0,0|2,0,0]=4 7777 B16R1.1497 CN(CCCO)C[C@@H](O)Cc1ccccc1 269982a_100000213112_100000729385 [0,2,0,0,0,0|2,0,0]=4 7778 B16R1.1497 CNCCC(=O)NC(C)Cc1ccccc1 2230a_106832991635_200011792965 [0,2,0,0,0,0|1,0,1]=4 7779 B16R1.1497 CNCCC(=O)NC(C)Cc1ccccc1 7a_106832991635_200011792965 [0,2,0,0,0,0|1,0,1]=4 7780 B16R1.1497 COCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000742357 [0,2,0,0,0,0|2,0,0]=4 7781 B16R1.1497 COCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000742357 [0,2,0,0,0,0|2,0,0]=4 7782 B16R1.1497 CSCCC(=O)NC(C)Cc1ccccc1 62a_200000210301_200011792965 [0,2,0,0,0,0|1,0,1]=4 7783 B16R1.1497 CSCCC(=O)NC(C)Cc1ccccc1 62a_200011792965_200000210301 [0,2,0,0,0,0|1,0,1]=4 7784 B16R1.1497 CSCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011217047 [0,2,0,0,0,0|2,0,0]=4 7785 B16R1.1497 CSCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011217047 [0,2,0,0,0,0|2,0,0]=4 7786 B16R1.4621 C#CCCCNC(C)Cc1ccccc1Br 270004a_100000718082_100011350739 [0,2,0,0,0,0|1,0,0]=3 7787 B16R1.4621 C#CCCCNC(C)Cc1ccccc1C 270004a_100000718082_200000764500 [0,2,0,0,0,0|1,0,0]=3 7788 B16R1.4621 C#CCCCNC(C)Cc1ccccc1Cl 270004a_100000718082_100000758791 [0,2,0,0,0,0|1,0,0]=3 7789 B16R1.4621 C#CCCCNC(C)Cc1ccccc1F 270004a_100000718082_100000709178 [0,2,0,0,0,0|1,0,0]=3 7790 B16R1.4621 C#CCCCNC(C)Cc1ncccc1C 270004a_100000718082_100011823981 [0,2,0,0,0,0|2,0,0]=4 7791 B16R1.4621 C=CCCCNC(C)Cc1ccccc1Br 270004a_100000700776_100011350739 [0,2,0,0,0,0|1,0,0]=3 7792 B16R1.4621 C=CCCCNC(C)Cc1ccccc1C 270004a_100000700776_200000764500 [0,2,0,0,0,0|1,0,0]=3 7793 B16R1.4621 C=CCCCNC(C)Cc1ccccc1Cl 270004a_100000700776_100000758791 [0,2,0,0,0,0|1,0,0]=3 7794 B16R1.4621 C=CCCCNC(C)Cc1ccccc1F 270004a_100000700776_100000709178 [0,2,0,0,0,0|1,0,0]=3 7795 B16R1.4621 C=CCCCNC(C)Cc1ncccc1C 270004a_100000700776_100011823981 [0,2,0,0,0,0|2,0,0]=4 7796 B16R1.4621 CC(CNCCCF)Oc1ccccc1Cl 2230a_100000763343_100011934791 [0,2,0,0,0,0|1,1,0]=4 7797 B16R1.4621 CC(CNCCCF)Oc1ccccc1Cl 34a_100000763343_100011934791 [0,2,0,0,0,0|1,1,0]=4 7798 B16R1.4621 CC(CNCCCO)Oc1ccccc1Cl 2230a_100000763343_100000230001 [0,2,0,0,0,0|2,0,0]=4 7799 B16R1.4621 CC(CNCCCO)Oc1ccccc1Cl 34a_100000763343_100000230001 [0,2,0,0,0,0|2,0,0]=4 7800 B16R1.4621 CC(Cc1ccccc1Br)NCCCCO 270004a_100000750430_100011350739 [0,2,0,0,0,0|1,0,0]=3 7801 B16R1.4621 CC(Cc1ccccc1Cl)NCCCCO 270004a_100000750430_100000758791 [0,2,0,0,0,0|1,0,0]=3 7802 B16R1.4621 CC(Cc1ccccc1F)NCCCCO 270004a_100000750430_100000709178 [0,2,0,0,0,0|1,0,0]=3 7803 B16R1.4621 CCCCCNC(C)Cc1ccccc1Br 270004a_100000209983_100011350739 [0,2,0,0,0,0|1,0,0]=3 7804 B16R1.4621 CCCCCNC(C)Cc1ccccc1C 270004a_100000209983_200000764500 [0,2,0,0,0,0|1,0,0]=3 7805 B16R1.4621 CCCCCNC(C)Cc1ccccc1Cl 270004a_100000209983_100000758791 [0,2,0,0,0,0|1,0,0]=3 7806 B16R1.4621 CCCCCNC(C)Cc1ccccc1F 270004a_100000209983_100000709178 [0,2,0,0,0,0|1,0,0]=3 7807 B16R1.4621 CCCCCNC(C)Cc1ncccc1C 270004a_100000209983_100011823981 [0,2,0,0,0,0|2,0,0]=4 7808 B16R1.4621 CCCCNCC(C)Oc1ccccc1Cl 2230a_100000763343_100000210211 [0,2,0,0,0,0|2,0,0]=4 7809 B16R1.4621 CCCCNCC(C)Oc1ccccc1Cl 34a_100000763343_100000210210 [0,2,0,0,0,0|2,0,0]=4 7810 B16R1.4621 CCCCNN=C(C)Cc1ccccc1Cl 4a_100025702795_100000758791 [0,2,0,0,0,0|1,0,1]=4 7811 B16R1.4621 CCOCCNC(C)Cc1ccccc1Br 270004a_102516460346_100011350739 [0,2,0,0,0,0|1,0,0]=3 7812 B16R1.4621 CCOCCNC(C)Cc1ccccc1C 270004a_102516460346_200000764500 [0,2,0,0,0,0|1,0,0]=3 7813 B16R1.4621 CCOCCNC(C)Cc1ccccc1Cl 270004a_102516460346_100000758791 [0,2,0,0,0,0|1,0,0]=3 7814 B16R1.4621 CCOCCNC(C)Cc1ccccc1F 270004a_102516460346_100000709178 [0,2,0,0,0,0|1,0,0]=3 7815 B16R1.4621 CCOCCNC(C)Cc1ncccc1C 270004a_102516460346_100011823981 [0,2,0,0,0,0|2,0,0]=4 7816 B16R1.4621 CCSCCNC(C)Cc1ccccc1Br 270004a_100000106463_100011350739 [0,2,0,0,0,0|1,0,0]=3 7817 B16R1.4621 CCSCCNC(C)Cc1ccccc1C 270004a_100000106463_200000764500 [0,2,0,0,0,0|1,0,0]=3 7818 B16R1.4621 CCSCCNC(C)Cc1ccccc1Cl 270004a_100000106463_100000758791 [0,2,0,0,0,0|1,0,0]=3 7819 B16R1.4621 CCSCCNC(C)Cc1ccccc1F 270004a_100000106463_100000709178 [0,2,0,0,0,0|1,0,0]=3 7820 B16R1.4621 CCSCCNC(C)Cc1ncccc1C 270004a_100000106463_100011823981 [0,2,0,0,0,0|2,0,0]=4 7821 B16R1.4621 COCCCNC(C)Cc1ccccc1Br 270004a_100150723488_100011350739 [0,2,0,0,0,0|1,0,0]=3 7822 B16R1.4621 COCCCNC(C)Cc1ccccc1C 270004a_100150723488_200000764500 [0,2,0,0,0,0|1,0,0]=3 7823 B16R1.4621 COCCCNC(C)Cc1ccccc1Cl 270004a_100150723488_100000758791 [0,2,0,0,0,0|1,0,0]=3 7824 B16R1.4621 COCCCNC(C)Cc1ccccc1F 270004a_100150723488_100000709178 [0,2,0,0,0,0|1,0,0]=3 7825 B16R1.4621 COCCCNC(C)Cc1ncccc1C 270004a_100150723488_100011823981 [0,2,0,0,0,0|2,0,0]=4 7826 B16R1.4621 CSCCCNC(C)Cc1ccccc1Br 270004a_100000749238_100011350739 [0,2,0,0,0,0|1,0,0]=3 7827 B16R1.4621 CSCCCNC(C)Cc1ccccc1C 270004a_100000749238_200000764500 [0,2,0,0,0,0|1,0,0]=3 7828 B16R1.4621 CSCCCNC(C)Cc1ccccc1Cl 270004a_100000749238_100000758791 [0,2,0,0,0,0|1,0,0]=3 7829 B16R1.4621 CSCCCNC(C)Cc1ccccc1F 270004a_100000749238_100000709178 [0,2,0,0,0,0|1,0,0]=3 7830 B16R1.4621 CSCCCNC(C)Cc1ncccc1C 270004a_100000749238_100011823981 [0,2,0,0,0,0|2,0,0]=4 7831 B16R1.4621 Cc1ccccc1CC(C)NCCCCO 270004a_100000750430_200000764500 [0,2,0,0,0,0|1,0,0]=3 7832 B16R1.4621 Cc1cccnc1CC(C)NCCCCO 270004a_100000750430_100011823981 [0,2,0,0,0,0|2,0,0]=4 7833 B16R1.8504 C#CCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100011215417 [0,2,0,0,0,0|2,0,0]=4 7834 B16R1.8504 C=CCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000757094 [0,2,0,0,0,0|2,0,0]=4 7835 B16R1.8504 CC(C)(Cc1ccccc1)OCCCC#N 7a_100011215222_100000687738 [0,2,0,0,0,0|2,0,0]=4 7836 B16R1.8504 CC(C)(Cc1ccccc1)OCCCC=O 7a_100011215222_200011292268 [0,2,0,0,0,0|2,0,0]=4 7837 B16R1.8504 CC(C)(Cc1ccccc1)OCCCCF 7a_100011215222_100000729493 [0,2,0,0,0,0|1,1,0]=4 7838 B16R1.8504 CC(C)(Cc1ccccc1)OCCCCO 7a_100011215222_100000210776 [0,2,0,0,0,0|2,0,0]=4 7839 B16R1.8504 CCCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210326 [0,2,0,0,0,0|2,0,0]=4 7840 B16R1.8504 CCOCCOC(C)(C)Cc1ccccc1 7a_100011215222_100011215890 [0,2,0,0,0,0|2,0,0]=4 7841 B16R1.8504 CCSCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000757381 [0,2,0,0,0,0|2,0,0]=4 7842 B16R1.8504 COCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000740836 [0,2,0,0,0,0|2,0,0]=4 7843 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000688953 [0,2,0,0,0,0|1,0,1]=4 7844 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000688953 [0,2,0,0,0,0|1,0,1]=4 7845 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000754431 [0,2,0,0,0,0|1,0,1]=4 7846 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000754431 [0,2,0,0,0,0|1,0,1]=4 7847 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)Br 2230a_100015189416_100000184162 [0,2,0,0,0,0|0,1,1]=4 7848 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)Br 34a_100015189416_100000184162 [0,2,0,0,0,0|0,1,1]=4 7849 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)Cl 2230a_100015189416_100000183210 [0,2,0,0,0,0|0,1,1]=4 7850 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)F 2230a_100015189416_100000229918 [0,2,0,0,0,0|0,1,1]=4 7851 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)F 34a_100015189416_100000229918 [0,2,0,0,0,0|0,1,1]=4 7852 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)O 2230a_100015189416_200010205864 [0,2,0,0,0,0|0,1,1]=4 7853 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)O 34a_100015189416_200010205864 [0,2,0,0,0,0|0,1,1]=4 7854 B16R1.61 CC(OCCCCl)C(=O)c1ccc(cc1)Br 34a_100000230001_100000184162 [0,2,0,0,0,0|1,0,1]=4 7855 B16R1.61 CC(OCCCCl)C(=O)c1ccc(cc1)F 34a_100000230001_100000229918 [0,2,0,0,0,0|1,0,1]=4 7856 B16R1.61 CC(OCCCCl)C(=O)c1ccc(cc1)O 34a_100000230001_200010205864 [0,2,0,0,0,0|1,0,1]=4 7857 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Br 2230a_100000102301_100000184162 [0,2,0,0,0,0|1,0,1]=4 7858 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Br 7a_106832991798_100000184162 [0,2,0,0,0,0|1,0,1]=4 7859 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)C 2230a_100000102301_100000726416 [0,2,0,0,0,0|1,0,1]=4 7860 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)C 7a_106832991798_100000183984 [0,2,0,0,0,0|1,0,1]=4 7861 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Cl 2230a_100000102301_100000183210 [0,2,0,0,0,0|1,0,1]=4 7862 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991798_100000183210 [0,2,0,0,0,0|1,0,1]=4 7863 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)F 2230a_100000102301_100000229918 [0,2,0,0,0,0|1,0,1]=4 7864 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)F 7a_106832991798_100000229918 [0,2,0,0,0,0|1,0,1]=4 7865 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)O 2230a_100000102301_200010205864 [0,2,0,0,0,0|1,0,1]=4 7866 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)O 7a_106832991798_200010205864 [0,2,0,0,0,0|1,0,1]=4 7867 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210211 [0,2,0,0,0,0|1,0,0]=3 7868 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210210 [0,2,0,0,0,0|1,0,0]=3 7869 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011201679 [0,2,0,0,0,0|2,0,0]=4 7870 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011201679 [0,2,0,0,0,0|2,0,0]=4 7871 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000751147 [0,2,0,0,0,0|2,0,0]=4 7872 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000212216 [0,2,0,0,0,0|2,0,0]=4 7873 B16R1.61 C[C@@H](NCCC#N)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011215226 [0,2,0,0,0,0|1,0,1]=4 7874 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011934791 [0,2,0,0,0,0|0,1,0]=3 7875 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011934791 [0,2,0,0,0,0|0,1,0]=3 7876 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000230001 [0,2,0,0,0,0|1,0,0]=3 7877 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000230001 [0,2,0,0,0,0|1,0,0]=3 7878 B16R1.61 Cc1ccc(cc1)C(=O)C(C)NCCCF 2230a_100015189416_100000726416 [0,2,0,0,0,0|0,1,1]=4 7879 B16R1.61 Cc1ccc(cc1)C(=O)C(C)NCCCF 34a_100015189416_100000726416 [0,2,0,0,0,0|0,1,1]=4 7880 B16R1.61 Cc1ccc(cc1)C(=O)C(C)OCCCCl 34a_100000230001_100000726416 [0,2,0,0,0,0|1,0,1]=4 7881 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)Br 2230a_100015189416_100012349134 [0,2,0,0,0,0|0,1,1]=4 7882 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)Br 34a_100015189416_100012349134 [0,2,0,0,0,0|0,1,1]=4 7883 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)Cl 2230a_100015189416_100000184413 [0,2,0,0,0,0|0,1,1]=4 7884 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)Cl 34a_100015189416_100000184413 [0,2,0,0,0,0|0,1,1]=4 7885 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)F 2230a_100015189416_100012356231 [0,2,0,0,0,0|0,1,1]=4 7886 B16R1.62 CC(NCCCF)C(=O)c1cccc(c1)F 34a_100015189416_100012356231 [0,2,0,0,0,0|0,1,1]=4 7887 B16R1.62 CC(OCCCCl)C(=O)c1cccc(c1)Br 34a_100000230001_100012349134 [0,2,0,0,0,0|1,0,1]=4 7888 B16R1.62 CC(OCCCCl)C(=O)c1cccc(c1)Cl 34a_100000230001_100000184413 [0,2,0,0,0,0|1,0,1]=4 7889 B16R1.62 CC(OCCCCl)C(=O)c1cccc(c1)F 34a_100000230001_100012356231 [0,2,0,0,0,0|1,0,1]=4 7890 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)Br 2230a_100000102301_100012349134 [0,2,0,0,0,0|1,0,1]=4 7891 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)Br 7a_106832991798_100012349134 [0,2,0,0,0,0|1,0,1]=4 7892 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)Cl 2230a_100000102301_100000184413 [0,2,0,0,0,0|1,0,1]=4 7893 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)Cl 7a_106832991798_100000184413 [0,2,0,0,0,0|1,0,1]=4 7894 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)F 2230a_100000102301_100012356231 [0,2,0,0,0,0|1,0,1]=4 7895 B16R1.62 CCCCNC(C)C(=O)c1cccc(c1)F 7a_106832991798_100012356231 [0,2,0,0,0,0|1,0,1]=4 7896 B16R1.613 CC(C)CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210312 [0,2,0,0,0,0|2,0,0]=4 7897 B16R1.613 CC(O)CCNC(C)C(=O)c1ccccc1 2230a_200000755665_100000239700 [0,2,0,0,0,0|1,0,1]=4 7898 B16R1.613 CC(O)CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100012276601 [0,2,0,0,0,0|2,0,0]=4 7899 B16R1.915 CC(CCO)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100009893172 [0,2,0,0,0,0|2,0,0]=4 7900 B16R1.915 CC(N[C@H](C)CCO)C(=O)c1ccccc1 2230a_100000706166_100000239700 [0,2,0,0,0,0|1,0,1]=4 7901 B16R1.915 CCCC(C)NC(C)C(=O)c1ccccc1 2230a_100000741246_100000239700 [0,2,0,0,0,0|1,0,1]=4 7902 B16R1.915 CCCC(C)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000766640 [0,2,0,0,0,0|2,0,0]=4 7903 B16R1.1244 CC(C(=O)c1ccccc1)N(C)CCCO 2230a_100000213112_100000239700 [0,2,0,0,0,0|1,0,1]=4 7904 B16R1.1244 CC(C(=O)c1ccccc1)N(C)CCCO 269982a_100000213112_100000239700 [0,2,0,0,0,0|1,0,1]=4 7905 B16R1.1244 CCCCN(C)C(C)C(=O)c1ccccc1 2230a_100000207549_100000239700 [0,2,0,0,0,0|1,0,1]=4 7906 B16R1.1244 CCCCN(C)C(C)C(=O)c1ccccc1 269982a_100000207549_100000239700 [0,2,0,0,0,0|1,0,1]=4 7907 B16R1.1420 C#CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000688953 [0,2,0,0,0,0|1,0,1]=4 7908 B16R1.1420 C=CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000754431 [0,2,0,0,0,0|1,0,1]=4 7909 B16R1.1420 CCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210211 [0,2,0,0,0,0|1,0,0]=3 7910 B16R1.1420 COCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100011201679 [0,2,0,0,0,0|2,0,0]=4 7911 B16R1.1420 CSCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000751147 [0,2,0,0,0,0|2,0,0]=4 7912 B16R1.1420 N#CCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100011215226 [0,2,0,0,0,0|1,0,1]=4 7913 B16R1.1420 OCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000230001 [0,2,0,0,0,0|1,0,0]=3 7914 B16R1.1420 OC[C@@H](NCCCF)[C@H](O)c1ccccc1 2230a_100000004308_100011934791 [0,2,0,0,0,0|0,1,0]=3 7915 B16R1.2925 CC(NC[C@H](O)CO)C(=O)c1ccccc1 2230a_100020644852_100000239700 [0,2,0,0,0,0|1,0,1]=4 7916 B16R1.2925 CCC(C)CNC(C)C(=O)c1ccccc1 2230a_100020588543_100000239700 [0,2,0,0,0,0|1,0,1]=4 7917 B16R1.2925 CCC(C)CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000748023 [0,2,0,0,0,0|2,0,0]=4 7918 B16R1.2925 CCC(O)CNC(C)C(=O)c1ccccc1 2230a_100011218483_100000239700 [0,2,0,0,0,0|1,0,1]=4 7919 B16R1.2925 CCC(O)CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011218378 [0,2,0,0,0,0|2,0,0]=4 7920 B16R1.2925 CC[C@H](C)CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100009816398 [0,2,0,0,0,0|2,0,0]=4 7921 B16R1.2925 C[C@@H](CO)CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000059175 [0,2,0,0,0,0|2,0,0]=4 7922 B16R1.2925 C[C@H](OCC(O)CO)[C@@H](N)c1ccccc1 34a_100134616770_100011219619 [0,2,0,0,0,0|2,0,0]=4 7923 B16R1.2925 C[C@H](OC[C@@H](O)CF)[C@@H](N)c1ccccc1 34a_100134616770_100015614560 [0,2,0,0,0,0|1,1,0]=4 7924 B16R1.2925 C[C@H](OC[C@@H](O)CO)[C@@H](N)c1ccccc1 34a_100134616770_100009815848 [0,2,0,0,0,0|2,0,0]=4 7925 B16R1.5684 CC(NCCCF)C(=O)c1ccccc1Cl 2230a_100015189416_100010255250 [0,2,0,0,0,0|0,1,1]=4 7926 B16R1.5684 CCCCNC(C)C(=O)c1ccccc1Cl 2230a_100000102301_100010255250 [0,2,0,0,0,0|1,0,1]=4 7927 B16R1.5684 CCCCNC(C)C(=O)c1ccccc1Cl 7a_106832991798_100010255250 [0,2,0,0,0,0|1,0,1]=4 7928 B16R1.20512 CC(C)(NCCCF)C(=O)c1ccccc1 2230a_100015189416_200009813919 [0,2,0,0,0,0|0,1,1]=4 7929 B16R1.20512 CCCCNC(C)(C)C(=O)c1ccccc1 2230a_100000102301_200009813919 [0,2,0,0,0,0|1,0,1]=4 7930 B16R1.20512 CCCCNC(C)(C)C(=O)c1ccccc1 7a_106832991798_200009813919 [0,2,0,0,0,0|1,0,1]=4 7931 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100020639649_100000691760 [0,2,0,0,0,0|1,0,1]=4 7932 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)C 270004a_100020639649_100000751045 [0,2,0,0,0,0|1,0,1]=4 7933 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100020639649_100000747806 [0,2,0,0,0,0|1,0,1]=4 7934 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)F 270004a_100020639649_100000745281 [0,2,0,0,0,0|1,0,1]=4 7935 B16R1.658 C=CCCN(C)C(C)Cc1ccc(cc1)O 270004a_100020639649_100011218180 [0,2,0,0,0,0|1,0,1]=4 7936 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)CCCF 1458a_100000695199_100011934791 [0,2,0,0,0,0|1,1,0]=4 7937 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)CCCO 1458a_100000695199_100011215043 [0,2,0,0,0,0|2,0,0]=4 7938 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCC#N 270004a_100000184479_100000691760 [0,2,0,0,0,0|1,0,1]=4 7939 B16R1.658 CC(Cc1ccc(cc1)Br)N(C)CCCO 270004a_100000213112_100000691760 [0,2,0,0,0,0|1,0,0]=3 7940 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCC#N 270004a_100000184479_100000747806 [0,2,0,0,0,0|1,0,1]=4 7941 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCCO 270004a_100000213112_100000747806 [0,2,0,0,0,0|1,0,0]=3 7942 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)CCCF 1458a_100000746122_100011934791 [0,2,0,0,0,0|1,1,0]=4 7943 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)CCCO 1458a_100000746122_100011215043 [0,2,0,0,0,0|2,0,0]=4 7944 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCC#N 270004a_100000184479_100000745281 [0,2,0,0,0,0|1,0,1]=4 7945 B16R1.658 CC(Cc1ccc(cc1)F)N(C)CCCO 270004a_100000213112_100000745281 [0,2,0,0,0,0|1,0,0]=3 7946 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCC#N 270004a_100000184479_100011218180 [0,2,0,0,0,0|1,0,1]=4 7947 B16R1.658 CC(Cc1ccc(cc1)O)N(C)CCCO 270004a_100000213112_100011218180 [0,2,0,0,0,0|1,0,0]=3 7948 B16R1.658 CCCCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000210211 [0,2,0,0,0,0|2,0,0]=4 7949 B16R1.658 CCCCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000210211 [0,2,0,0,0,0|2,0,0]=4 7950 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000207549_100000691760 [0,2,0,0,0,0|1,0,0]=3 7951 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000207549_100000751045 [0,2,0,0,0,0|1,0,0]=3 7952 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000207549_100000747806 [0,2,0,0,0,0|1,0,0]=3 7953 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000207549_100000745281 [0,2,0,0,0,0|1,0,0]=3 7954 B16R1.658 CCCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000207549_100011218180 [0,2,0,0,0,0|1,0,0]=3 7955 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000743101_100000691760 [0,2,0,0,0,0|2,0,0]=4 7956 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000743101_100000751045 [0,2,0,0,0,0|2,0,0]=4 7957 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000743101_100000747806 [0,2,0,0,0,0|2,0,0]=4 7958 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000743101_100000745281 [0,2,0,0,0,0|2,0,0]=4 7959 B16R1.658 COCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000743101_100011218180 [0,2,0,0,0,0|2,0,0]=4 7960 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000686725_100000691760 [0,2,0,0,0,0|2,0,0]=4 7961 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000686725_100000751045 [0,2,0,0,0,0|2,0,0]=4 7962 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000686725_100000747806 [0,2,0,0,0,0|2,0,0]=4 7963 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000686725_100000745281 [0,2,0,0,0,0|2,0,0]=4 7964 B16R1.658 CSCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000686725_100011218180 [0,2,0,0,0,0|2,0,0]=4 7965 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCC#N 270004a_100000184479_100000751045 [0,2,0,0,0,0|1,0,1]=4 7966 B16R1.658 Cc1ccc(cc1)CC(C)N(C)CCCO 270004a_100000213112_100000751045 [0,2,0,0,0,0|1,0,0]=3 7967 B16R1.955 CC(CC#N)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100009813641 [0,2,0,0,0,0|1,0,1]=4 7968 B16R1.955 CC(CCO)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100009893172 [0,2,0,0,0,0|1,0,0]=3 7969 B16R1.955 CC(CCO)NC(C)Cc1ccc(cc1)O 34a_100102634573_100009893172 [0,2,0,0,0,0|1,0,0]=3 7970 B16R1.955 CC(CCO)OC(C)Cc1ccc(cc1)F 34a_100011351027_100009893172 [0,2,0,0,0,0|2,0,0]=4 7971 B16R1.955 CC(CCO)OC(C)Cc1ccc(cc1)F 7a_100011351027_100009893172 [0,2,0,0,0,0|2,0,0]=4 7972 B16R1.955 CC(Cc1ccc(cc1)Br)N[C@H](C)CCO 270004a_100000706166_100000691760 [0,2,0,0,0,0|1,0,0]=3 7973 B16R1.955 CC(Cc1ccc(cc1)Cl)N[C@H](C)CCO 270004a_100000706166_100000747806 [0,2,0,0,0,0|1,0,0]=3 7974 B16R1.955 CC(Cc1ccc(cc1)F)N[C@H](C)CCO 270004a_100000706166_100000745281 [0,2,0,0,0,0|1,0,0]=3 7975 B16R1.955 CC(Cc1ccc(cc1)O)NC(=O)CCO 240690a_100102634573_100011216618 [0,2,0,0,0,0|1,0,1]=4 7976 B16R1.955 CC(Cc1ccc(cc1)O)N[C@H](C)CCO 270004a_100000706166_100011218180 [0,2,0,0,0,0|1,0,0]=3 7977 B16R1.955 CCCC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100000211992 [0,2,0,0,0,0|1,0,1]=4 7978 B16R1.955 CCCC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100000211992 [0,2,0,0,0,0|1,0,1]=4 7979 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)Br 270004a_100000741246_100000691760 [0,2,0,0,0,0|1,0,0]=3 7980 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)C 270004a_100000741246_100000751045 [0,2,0,0,0,0|1,0,0]=3 7981 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)Cl 270004a_100000741246_100000747806 [0,2,0,0,0,0|1,0,0]=3 7982 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)F 270004a_100000741246_100000745281 [0,2,0,0,0,0|1,0,0]=3 7983 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766640 [0,2,0,0,0,0|1,0,0]=3 7984 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100000741246_100011218180 [0,2,0,0,0,0|1,0,0]=3 7985 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100000211909 [0,2,0,0,0,0|1,0,0]=3 7986 B16R1.955 CCCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100000766640 [0,2,0,0,0,0|1,0,0]=3 7987 B16R1.955 CCCC(C)OC(C)Cc1ccc(cc1)F 34a_100011351027_100000766640 [0,2,0,0,0,0|2,0,0]=4 7988 B16R1.955 CCCC(C)OC(C)Cc1ccc(cc1)F 7a_100011351027_100000766640 [0,2,0,0,0,0|2,0,0]=4 7989 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000765312 [0,2,0,0,0,0|2,0,0]=4 7990 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100000749346 [0,2,0,0,0,0|2,0,0]=4 7991 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100000765312 [0,2,0,0,0,0|2,0,0]=4 7992 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)Br 270004a_100000764878_100000691760 [0,2,0,0,0,0|2,0,0]=4 7993 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)C 270004a_100000764878_100000751045 [0,2,0,0,0,0|2,0,0]=4 7994 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)Cl 270004a_100000764878_100000747806 [0,2,0,0,0,0|2,0,0]=4 7995 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)F 270004a_100000764878_100000745281 [0,2,0,0,0,0|2,0,0]=4 7996 B16R1.955 COC[C@@H](C)NC(C)Cc1ccc(cc1)O 270004a_100000764878_100011218180 [0,2,0,0,0,0|2,0,0]=4 7997 B16R1.955 CSCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100011216314 [0,2,0,0,0,0|2,0,0]=4 7998 B16R1.955 Cc1ccc(cc1)CC(C)N[C@H](C)CCO 270004a_100000706166_100000751045 [0,2,0,0,0,0|1,0,0]=3 7999 B16R1.1067 C=C(C)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000730704 [0,2,0,0,0,0|1,0,1]=4 8000 B16R1.1067 C=C(C)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000730704 [0,2,0,0,0,0|1,0,1]=4 8001 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)Br 270004a_100000210545_100000691760 [0,2,0,0,0,0|1,0,0]=3 8002 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)Cl 270004a_100000210545_100000747806 [0,2,0,0,0,0|1,0,0]=3 8003 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)F 270004a_100000210545_100000745281 [0,2,0,0,0,0|1,0,0]=3 8004 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210312 [0,2,0,0,0,0|1,0,0]=3 8005 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 269862a_100102634573_100000185833 [0,2,0,0,0,0|1,0,0]=3 8006 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 270004a_100000210545_100011218180 [0,2,0,0,0,0|1,0,0]=3 8007 B16R1.1067 CC(C)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210312 [0,2,0,0,0,0|1,0,0]=3 8008 B16R1.1067 CC(C)CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210312 [0,2,0,0,0,0|2,0,0]=4 8009 B16R1.1067 CC(C)CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210626 [0,2,0,0,0,0|2,0,0]=4 8010 B16R1.1067 CC(Cc1ccc(cc1)Br)NCCN(C)C 270004a_100000210585_100000691760 [0,2,0,0,0,0|2,0,0]=4 8011 B16R1.1067 CC(Cc1ccc(cc1)Cl)NCCN(C)C 270004a_100000210585_100000747806 [0,2,0,0,0,0|2,0,0]=4 8012 B16R1.1067 CC(Cc1ccc(cc1)F)NCCN(C)C 270004a_100000210585_100000745281 [0,2,0,0,0,0|2,0,0]=4 8013 B16R1.1067 CC(Cc1ccc(cc1)O)NCCC(=O)N 2230a_100102634573_100000744528 [0,2,0,0,0,0|1,0,1]=4 8014 B16R1.1067 CC(Cc1ccc(cc1)O)NCCC(=O)N 34a_100102634573_100000731001 [0,2,0,0,0,0|1,0,1]=4 8015 B16R1.1067 CC(Cc1ccc(cc1)O)NCCN(C)C 270004a_100000210585_100011218180 [0,2,0,0,0,0|2,0,0]=4 8016 B16R1.1067 CC(Cc1ccc(cc1)O)NCOC(C)C 2230a_100102634573_100000709892 [0,2,0,0,0,0|2,0,0]=4 8017 B16R1.1067 CC(Cc1ccc(cc1)O)NCOC(C)C 34a_100102634573_100000709892 [0,2,0,0,0,0|2,0,0]=4 8018 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)Br 270004a_200000755665_100000691760 [0,2,0,0,0,0|1,0,0]=3 8019 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)Cl 270004a_200000755665_100000747806 [0,2,0,0,0,0|1,0,0]=3 8020 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)F 270004a_200000755665_100000745281 [0,2,0,0,0,0|1,0,0]=3 8021 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100012276601 [0,2,0,0,0,0|1,0,0]=3 8022 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 270004a_200000755665_100011218180 [0,2,0,0,0,0|1,0,0]=3 8023 B16R1.1067 CC(O)CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100012276601 [0,2,0,0,0,0|1,0,0]=3 8024 B16R1.1067 CC(O)CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100012276601 [0,2,0,0,0,0|2,0,0]=4 8025 B16R1.1067 CC(O)CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100012276601 [0,2,0,0,0,0|2,0,0]=4 8026 B16R1.1067 Cc1ccc(cc1)CC(C)NCCC(C)C 270004a_100000210545_100000751045 [0,2,0,0,0,0|1,0,0]=3 8027 B16R1.1067 Cc1ccc(cc1)CC(C)NCCC(C)O 270004a_200000755665_100000751045 [0,2,0,0,0,0|1,0,0]=3 8028 B16R1.1067 Cc1ccc(cc1)CC(C)NCCN(C)C 270004a_100000210585_100000751045 [0,2,0,0,0,0|2,0,0]=4 8029 B16R1.1147 C=CC(O)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000730141 [0,2,0,0,0,0|1,0,1]=4 8030 B16R1.1147 C=CC(O)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100000730141 [0,2,0,0,0,0|1,0,1]=4 8031 B16R1.1147 CC(Cc1ccc(cc1)Br)NC[C@@H](F)CO 270004a_100015665980_100000691760 [0,2,0,0,0,0|1,0,0]=3 8032 B16R1.1147 CC(Cc1ccc(cc1)Cl)NC[C@@H](F)CO 270004a_100015665980_100000747806 [0,2,0,0,0,0|1,0,0]=3 8033 B16R1.1147 CC(Cc1ccc(cc1)F)NC[C@@H](F)CO 270004a_100015665980_100000745281 [0,2,0,0,0,0|1,0,0]=3 8034 B16R1.1147 CC(Cc1ccc(cc1)F)OCC(O)CO 34a_100011351027_100011219619 [0,2,0,0,0,0|2,0,0]=4 8035 B16R1.1147 CC(Cc1ccc(cc1)F)OCC(O)CO 7a_100011351027_100011219619 [0,2,0,0,0,0|2,0,0]=4 8036 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](C)CO 34a_100011351027_100000059175 [0,2,0,0,0,0|2,0,0]=4 8037 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](C)CO 7a_100011351027_100000059175 [0,2,0,0,0,0|2,0,0]=4 8038 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](O)CF 34a_100011351027_100015614560 [0,2,0,0,0,0|1,1,0]=4 8039 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](O)CF 7a_100011351027_100015614560 [0,2,0,0,0,0|1,1,0]=4 8040 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](O)CO 34a_100011351027_100009815848 [0,2,0,0,0,0|2,0,0]=4 8041 B16R1.1147 CC(Cc1ccc(cc1)F)OC[C@@H](O)CO 7a_100011351027_100009815848 [0,2,0,0,0,0|2,0,0]=4 8042 B16R1.1147 CC(Cc1ccc(cc1)O)NCC(O)CO 2230a_100102634573_100011219619 [0,2,0,0,0,0|1,0,0]=3 8043 B16R1.1147 CC(Cc1ccc(cc1)O)NCC(O)CO 34a_100102634573_100011219619 [0,2,0,0,0,0|1,0,0]=3 8044 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](C)CO 2230a_100102634573_100000059175 [0,2,0,0,0,0|1,0,0]=3 8045 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](C)CO 34a_100102634573_100000059175 [0,2,0,0,0,0|1,0,0]=3 8046 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](F)CO 270004a_100015665980_100011218180 [0,2,0,0,0,0|1,0,0]=3 8047 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CF 2230a_100102634573_100015614560 [0,2,0,0,0,0|0,1,0]=3 8048 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CF 34a_100102634573_100015614560 [0,2,0,0,0,0|0,1,0]=3 8049 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CO 2230a_100102634573_100009815848 [0,2,0,0,0,0|1,0,0]=3 8050 B16R1.1147 CC(Cc1ccc(cc1)O)NC[C@@H](O)CO 34a_100102634573_100009815848 [0,2,0,0,0,0|1,0,0]=3 8051 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)Br 270004a_100020588543_100000691760 [0,2,0,0,0,0|1,0,0]=3 8052 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)C 270004a_100020588543_100000751045 [0,2,0,0,0,0|1,0,0]=3 8053 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)Cl 270004a_100020588543_100000747806 [0,2,0,0,0,0|1,0,0]=3 8054 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)F 270004a_100020588543_100000745281 [0,2,0,0,0,0|1,0,0]=3 8055 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000748023 [0,2,0,0,0,0|1,0,0]=3 8056 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 270004a_100020588543_100011218180 [0,2,0,0,0,0|1,0,0]=3 8057 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 270004a_100102634573_100000243153 [0,2,0,0,0,0|1,0,0]=3 8058 B16R1.1147 CCC(C)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100000748023 [0,2,0,0,0,0|1,0,0]=3 8059 B16R1.1147 CCC(C)COC(C)Cc1ccc(cc1)F 34a_100011351027_100000748023 [0,2,0,0,0,0|2,0,0]=4 8060 B16R1.1147 CCC(C)COC(C)Cc1ccc(cc1)F 7a_100011351027_100000748023 [0,2,0,0,0,0|2,0,0]=4 8061 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)Br 270004a_100011218483_100000691760 [0,2,0,0,0,0|1,0,0]=3 8062 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)C 270004a_100011218483_100000751045 [0,2,0,0,0,0|1,0,0]=3 8063 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)Cl 270004a_100011218483_100000747806 [0,2,0,0,0,0|1,0,0]=3 8064 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)F 270004a_100011218483_100000745281 [0,2,0,0,0,0|1,0,0]=3 8065 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218378 [0,2,0,0,0,0|1,0,0]=3 8066 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 270004a_100011218483_100011218180 [0,2,0,0,0,0|1,0,0]=3 8067 B16R1.1147 CCC(O)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218378 [0,2,0,0,0,0|1,0,0]=3 8068 B16R1.1147 CCC(O)COC(C)Cc1ccc(cc1)F 34a_100011351027_100011218378 [0,2,0,0,0,0|2,0,0]=4 8069 B16R1.1147 CCC(O)COC(C)Cc1ccc(cc1)F 7a_100011351027_100011218378 [0,2,0,0,0,0|2,0,0]=4 8070 B16R1.1147 CC[C@H](C)CNC(C)Cc1ccc(cc1)O 2230a_100102634573_100009816398 [0,2,0,0,0,0|1,0,0]=3 8071 B16R1.1147 CC[C@H](C)CNC(C)Cc1ccc(cc1)O 34a_100102634573_100009816398 [0,2,0,0,0,0|1,0,0]=3 8072 B16R1.1147 CC[C@H](C)COC(C)Cc1ccc(cc1)F 34a_100011351027_100009816398 [0,2,0,0,0,0|2,0,0]=4 8073 B16R1.1147 CC[C@H](C)COC(C)Cc1ccc(cc1)F 7a_100011351027_100009816398 [0,2,0,0,0,0|2,0,0]=4 8074 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)Br 270004a_100020591295_100000691760 [0,2,0,0,0,0|2,0,0]=4 8075 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)C 270004a_100020591295_100000751045 [0,2,0,0,0,0|2,0,0]=4 8076 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)Cl 270004a_100020591295_100000747806 [0,2,0,0,0,0|2,0,0]=4 8077 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)F 270004a_100020591295_100000745281 [0,2,0,0,0,0|2,0,0]=4 8078 B16R1.1147 CO[C@H](C)CNC(C)Cc1ccc(cc1)O 270004a_100020591295_100011218180 [0,2,0,0,0,0|2,0,0]=4 8079 B16R1.1147 Cc1ccc(cc1)CC(C)NC[C@@H](F)CO 270004a_100015665980_100000751045 [0,2,0,0,0,0|1,0,0]=3 8080 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000688953 [0,2,0,0,0,0|1,0,1]=4 8081 B16R1.1230 C#CCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000688953 [0,2,0,0,0,0|1,0,1]=4 8082 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000688953 [0,2,0,0,0,0|1,0,1]=4 8083 B16R1.1230 C#CCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000688953 [0,2,0,0,0,0|1,0,1]=4 8084 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000754431 [0,2,0,0,0,0|1,0,1]=4 8085 B16R1.1230 C=CCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000754431 [0,2,0,0,0,0|1,0,1]=4 8086 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000754431 [0,2,0,0,0,0|1,0,1]=4 8087 B16R1.1230 C=CCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000754431 [0,2,0,0,0,0|1,0,1]=4 8088 B16R1.1230 CCCCNC(C#N)Cc1ccc(cc1)C 7a_106832991798_100000697087 [0,2,0,0,0,0|1,0,1]=4 8089 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000210211 [0,2,0,0,0,0|1,0,0]=3 8090 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000210210 [0,2,0,0,0,0|1,0,0]=3 8091 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210211 [0,2,0,0,0,0|1,0,0]=3 8092 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000210210 [0,2,0,0,0,0|1,0,0]=3 8093 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100011201679 [0,2,0,0,0,0|2,0,0]=4 8094 B16R1.1230 COCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100011201679 [0,2,0,0,0,0|2,0,0]=4 8095 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100011201679 [0,2,0,0,0,0|2,0,0]=4 8096 B16R1.1230 COCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100011201679 [0,2,0,0,0,0|2,0,0]=4 8097 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000751147 [0,2,0,0,0,0|2,0,0]=4 8098 B16R1.1230 CSCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000212216 [0,2,0,0,0,0|2,0,0]=4 8099 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000751147 [0,2,0,0,0,0|2,0,0]=4 8100 B16R1.1230 CSCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000212216 [0,2,0,0,0,0|2,0,0]=4 8101 B16R1.1230 Cc1ccc(cc1)CC(C#N)NCCCF 34a_100015189416_100000697087 [0,2,0,0,0,0|0,1,1]=4 8102 B16R1.1230 Cc1ccc(cc1)CC(C#N)OCCCCl 34a_100000230001_100000697087 [0,2,0,0,0,0|1,0,1]=4 8103 B16R1.1230 N#CCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100011215226 [0,2,0,0,0,0|1,0,1]=4 8104 B16R1.1230 N#CCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100011215226 [0,2,0,0,0,0|1,0,1]=4 8105 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCF 2230a_100025702442_100011934791 [0,2,0,0,0,0|0,1,0]=3 8106 B16R1.1230 OCC(Cc1ccc(cc1)Cl)NCCCF 34a_100025702442_100011934791 [0,2,0,0,0,0|0,1,0]=3 8107 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000230001 [0,2,0,0,0,0|1,0,0]=3 8108 B16R1.1230 OCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000230001 [0,2,0,0,0,0|1,0,0]=3 8109 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000230001 [0,2,0,0,0,0|1,0,0]=3 8110 B16R1.1230 OCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000230001 [0,2,0,0,0,0|1,0,0]=3 8111 B16R1.1230 OC[C@@H](Cc1ccc(cc1)O)NCCCF 2230a_100020629837_100011934791 [0,2,0,0,0,0|0,1,0]=3 8112 B16R1.1230 OC[C@@H](Cc1ccc(cc1)O)NCCCF 34a_100020629837_100011934791 [0,2,0,0,0,0|0,1,0]=3 8113 B16R1.7382 C=CCCNC(C)Cc1ccc(cc1)C#N 270004a_100015191253_200011996569 [0,2,0,0,0,0|1,0,1]=4 8114 B16R1.7382 C=CCCNC(C)Cc1ccc(cc1)OC 270004a_100015191253_100000211147 [0,2,0,0,0,0|1,0,1]=4 8115 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCC#N 270004a_100000720768_200011996569 [0,2,0,0,0,0|1,0,1]=4 8116 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCCF 270004a_100015189416_200011996569 [0,2,0,0,0,0|0,1,0]=3 8117 B16R1.7382 CC(Cc1ccc(cc1)C#N)NCCCO 270004a_100000182051_200011996569 [0,2,0,0,0,0|1,0,0]=3 8118 B16R1.7382 CCCCNC(C)Cc1ccc(cc1)C#N 270004a_100000102301_200011996569 [0,2,0,0,0,0|1,0,0]=3 8119 B16R1.7382 CCCCNC(C)Cc1ccc(cc1)OC 270004a_100000102301_100000211147 [0,2,0,0,0,0|1,0,0]=3 8120 B16R1.7382 COCCNC(C)Cc1ccc(cc1)C#N 270004a_100000209980_200011996569 [0,2,0,0,0,0|2,0,0]=4 8121 B16R1.7382 COCCNC(C)Cc1ccc(cc1)OC 270004a_100000209980_100000211147 [0,2,0,0,0,0|2,0,0]=4 8122 B16R1.7382 COc1ccc(cc1)CC(C)NCCC#N 270004a_100000720768_100000211147 [0,2,0,0,0,0|1,0,1]=4 8123 B16R1.7382 COc1ccc(cc1)CC(C)NCCCF 270004a_100015189416_100000211147 [0,2,0,0,0,0|0,1,0]=3 8124 B16R1.7382 COc1ccc(cc1)CC(C)NCCCO 270004a_100000182051_100000211147 [0,2,0,0,0,0|1,0,0]=3 8125 B16R1.7382 COc1ccc(cc1)CC(C)NCCSC 270004a_100020590264_100000211147 [0,2,0,0,0,0|2,0,0]=4 8126 B16R1.7382 CSCCNC(C)Cc1ccc(cc1)C#N 270004a_100020590264_200011996569 [0,2,0,0,0,0|2,0,0]=4 8127 B16R1.7393 C=CCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100015191253_100011586667 [0,2,0,0,0,0|1,0,1]=4 8128 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCC#N 270004a_100000720768_100011586667 [0,2,0,0,0,0|1,0,1]=4 8129 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCF 270004a_100015189416_100011586667 [0,2,0,0,0,0|0,1,0]=3 8130 B16R1.7393 CC(Cc1ccc(c(c1)Cl)Cl)NCCCO 270004a_100000182051_100011586667 [0,2,0,0,0,0|1,0,0]=3 8131 B16R1.7393 CCCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000102301_100011586667 [0,2,0,0,0,0|1,0,0]=3 8132 B16R1.7393 COCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100000209980_100011586667 [0,2,0,0,0,0|2,0,0]=4 8133 B16R1.7393 CSCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100020590264_100011586667 [0,2,0,0,0,0|2,0,0]=4 8134 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000688953 [0,2,0,0,0,0|1,0,1]=4 8135 B16R1.20522 C#CCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000688953 [0,2,0,0,0,0|1,0,1]=4 8136 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000754431 [0,2,0,0,0,0|1,0,1]=4 8137 B16R1.20522 C=CCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000754431 [0,2,0,0,0,0|1,0,1]=4 8138 B16R1.20522 CC(C)(Cc1ccc(cc1)Cl)OCCCF 34a_200011350411_100011934791 [0,2,0,0,0,0|1,1,0]=4 8139 B16R1.20522 CC(C)(Cc1ccc(cc1)Cl)OCCCF 7a_200011350411_100011934791 [0,2,0,0,0,0|1,1,0]=4 8140 B16R1.20522 CC(C)(Cc1ccc(cc1)Cl)OCCCO 34a_200011350411_100000230001 [0,2,0,0,0,0|2,0,0]=4 8141 B16R1.20522 CC(C)(Cc1ccc(cc1)Cl)OCCCO 7a_200011350411_100011215043 [0,2,0,0,0,0|2,0,0]=4 8142 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCC#N 2230a_100015243227_100011215226 [0,2,0,0,0,0|1,0,1]=4 8143 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCF 2230a_100015243227_100011934791 [0,2,0,0,0,0|0,1,0]=3 8144 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCF 34a_100015243227_100011934791 [0,2,0,0,0,0|0,1,0]=3 8145 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCO 2230a_100015243227_100000230001 [0,2,0,0,0,0|1,0,0]=3 8146 B16R1.20522 CC(C)(Cc1ccc(cc1)F)NCCCO 34a_100015243227_100000230001 [0,2,0,0,0,0|1,0,0]=3 8147 B16R1.20522 CC(C)(Cc1ccc(cc1)F)OCCCF 34a_200011350416_100011934791 [0,2,0,0,0,0|1,1,0]=4 8148 B16R1.20522 CC(C)(Cc1ccc(cc1)F)OCCCF 7a_200011350416_100011934791 [0,2,0,0,0,0|1,1,0]=4 8149 B16R1.20522 CC(C)(Cc1ccc(cc1)F)OCCCO 34a_200011350416_100000230001 [0,2,0,0,0,0|2,0,0]=4 8150 B16R1.20522 CC(C)(Cc1ccc(cc1)F)OCCCO 7a_200011350416_100011215043 [0,2,0,0,0,0|2,0,0]=4 8151 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000210211 [0,2,0,0,0,0|1,0,0]=3 8152 B16R1.20522 CCCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000210210 [0,2,0,0,0,0|1,0,0]=3 8153 B16R1.20522 CCCCOC(C)(C)Cc1ccc(cc1)C 7a_200011350412_100000210211 [0,2,0,0,0,0|2,0,0]=4 8154 B16R1.20522 CCCCOC(C)(C)Cc1ccc(cc1)Cl 34a_200011350411_100000210210 [0,2,0,0,0,0|2,0,0]=4 8155 B16R1.20522 CCCCOC(C)(C)Cc1ccc(cc1)Cl 7a_200011350411_100000210211 [0,2,0,0,0,0|2,0,0]=4 8156 B16R1.20522 CCCCOC(C)(C)Cc1ccc(cc1)F 34a_200011350416_100000210210 [0,2,0,0,0,0|2,0,0]=4 8157 B16R1.20522 CCCCOC(C)(C)Cc1ccc(cc1)F 7a_200011350416_100000210211 [0,2,0,0,0,0|2,0,0]=4 8158 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100011201679 [0,2,0,0,0,0|2,0,0]=4 8159 B16R1.20522 COCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100011201679 [0,2,0,0,0,0|2,0,0]=4 8160 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000751147 [0,2,0,0,0,0|2,0,0]=4 8161 B16R1.20522 CSCCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000212216 [0,2,0,0,0,0|2,0,0]=4 8162 B16R1.20522 Cc1ccc(cc1)CC(C)(C)OCCCF 7a_200011350412_100011934791 [0,2,0,0,0,0|1,1,0]=4 8163 B16R1.20522 Cc1ccc(cc1)CC(C)(C)OCCCO 7a_200011350412_100011215043 [0,2,0,0,0,0|2,0,0]=4 8164 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100015191253_200010078464 [0,2,0,0,0,0|1,0,1]=4 8165 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1C)C 270004a_100015191253_200000075425 [0,2,0,0,0,0|1,0,1]=4 8166 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100015191253_200011350722 [0,2,0,0,0,0|1,0,1]=4 8167 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1Cl)O 270004a_100015191253_200000084595 [0,2,0,0,0,0|1,0,1]=4 8168 B16R1.22955 C=CCCNC(C)Cc1ccc(cc1F)F 270004a_100015191253_100011622162 [0,2,0,0,0,0|1,0,1]=4 8169 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCC#N 270004a_100000720768_200010078464 [0,2,0,0,0,0|1,0,1]=4 8170 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCCF 270004a_100015189416_200010078464 [0,2,0,0,0,0|0,1,0]=3 8171 B16R1.22955 CC(Cc1ccc(cc1Br)Cl)NCCCO 270004a_100000182051_200010078464 [0,2,0,0,0,0|1,0,0]=3 8172 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCC#N 270004a_100000720768_200011350722 [0,2,0,0,0,0|1,0,1]=4 8173 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCCF 270004a_100015189416_200011350722 [0,2,0,0,0,0|0,1,0]=3 8174 B16R1.22955 CC(Cc1ccc(cc1Cl)Cl)NCCCO 270004a_100000182051_200011350722 [0,2,0,0,0,0|1,0,0]=3 8175 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCC#N 270004a_100000720768_200000084595 [0,2,0,0,0,0|1,0,1]=4 8176 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCCF 270004a_100015189416_200000084595 [0,2,0,0,0,0|0,1,0]=3 8177 B16R1.22955 CC(Cc1ccc(cc1Cl)O)NCCCO 270004a_100000182051_200000084595 [0,2,0,0,0,0|1,0,0]=3 8178 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCC#N 270004a_100000720768_100011622162 [0,2,0,0,0,0|1,0,1]=4 8179 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCCF 270004a_100015189416_100011622162 [0,2,0,0,0,0|0,1,0]=3 8180 B16R1.22955 CC(Cc1ccc(cc1F)F)NCCCO 270004a_100000182051_100011622162 [0,2,0,0,0,0|1,0,0]=3 8181 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100000102301_200010078464 [0,2,0,0,0,0|1,0,0]=3 8182 B16R1.22955 CCCCNC(C)Cc1ccc(cc1C)C 270004a_100000102301_200000075425 [0,2,0,0,0,0|1,0,0]=3 8183 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100000102301_200011350722 [0,2,0,0,0,0|1,0,0]=3 8184 B16R1.22955 CCCCNC(C)Cc1ccc(cc1Cl)O 270004a_100000102301_200000084595 [0,2,0,0,0,0|1,0,0]=3 8185 B16R1.22955 CCCCNC(C)Cc1ccc(cc1F)F 270004a_100000102301_100011622162 [0,2,0,0,0,0|1,0,0]=3 8186 B16R1.22955 COCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100000209980_200010078464 [0,2,0,0,0,0|2,0,0]=4 8187 B16R1.22955 COCCNC(C)Cc1ccc(cc1C)C 270004a_100000209980_200000075425 [0,2,0,0,0,0|2,0,0]=4 8188 B16R1.22955 COCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100000209980_200011350722 [0,2,0,0,0,0|2,0,0]=4 8189 B16R1.22955 COCCNC(C)Cc1ccc(cc1Cl)O 270004a_100000209980_200000084595 [0,2,0,0,0,0|2,0,0]=4 8190 B16R1.22955 COCCNC(C)Cc1ccc(cc1F)F 270004a_100000209980_100011622162 [0,2,0,0,0,0|2,0,0]=4 8191 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Br)Cl 270004a_100020590264_200010078464 [0,2,0,0,0,0|2,0,0]=4 8192 B16R1.22955 CSCCNC(C)Cc1ccc(cc1C)C 270004a_100020590264_200000075425 [0,2,0,0,0,0|2,0,0]=4 8193 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100020590264_200011350722 [0,2,0,0,0,0|2,0,0]=4 8194 B16R1.22955 CSCCNC(C)Cc1ccc(cc1Cl)O 270004a_100020590264_200000084595 [0,2,0,0,0,0|2,0,0]=4 8195 B16R1.22955 CSCCNC(C)Cc1ccc(cc1F)F 270004a_100020590264_100011622162 [0,2,0,0,0,0|2,0,0]=4 8196 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCC#N 270004a_100000720768_200000075425 [0,2,0,0,0,0|1,0,1]=4 8197 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCCF 270004a_100015189416_200000075425 [0,2,0,0,0,0|0,1,0]=3 8198 B16R1.22955 Cc1ccc(c(c1)C)CC(C)NCCCO 270004a_100000182051_200000075425 [0,2,0,0,0,0|1,0,0]=3 8199 B16R1.88 C=CCCNC(C)Cc1cccc(c1C)F 270004a_100015191253_200000084601 [0,2,0,0,0,0|1,0,1]=4 8200 B16R1.88 C=CCCNC(C)Cc1cccc(c1F)F 270004a_100015191253_200011710203 [0,2,0,0,0,0|1,0,1]=4 8201 B16R1.88 CC(Cc1cccc(c1F)F)NCCC#N 270004a_100000720768_200011710203 [0,2,0,0,0,0|1,0,1]=4 8202 B16R1.88 CC(Cc1cccc(c1F)F)NCCCF 270004a_100015189416_200011710203 [0,2,0,0,0,0|0,1,0]=3 8203 B16R1.88 CC(Cc1cccc(c1F)F)NCCCO 270004a_100000182051_200011710203 [0,2,0,0,0,0|1,0,0]=3 8204 B16R1.88 CCCCNC(C)Cc1cccc(c1C)F 270004a_100000102301_200000084601 [0,2,0,0,0,0|1,0,0]=3 8205 B16R1.88 CCCCNC(C)Cc1cccc(c1F)F 270004a_100000102301_200011710203 [0,2,0,0,0,0|1,0,0]=3 8206 B16R1.88 COCCNC(C)Cc1cccc(c1C)F 270004a_100000209980_200000084601 [0,2,0,0,0,0|2,0,0]=4 8207 B16R1.88 COCCNC(C)Cc1cccc(c1F)F 270004a_100000209980_200011710203 [0,2,0,0,0,0|2,0,0]=4 8208 B16R1.88 CSCCNC(C)Cc1cccc(c1C)F 270004a_100020590264_200000084601 [0,2,0,0,0,0|2,0,0]=4 8209 B16R1.88 CSCCNC(C)Cc1cccc(c1F)F 270004a_100020590264_200011710203 [0,2,0,0,0,0|2,0,0]=4 8210 B16R1.88 Cc1c(cccc1CC(C)NCCC#N)F 270004a_100000720768_200000084601 [0,2,0,0,0,0|1,0,1]=4 8211 B16R1.88 Cc1c(cccc1CC(C)NCCCF)F 270004a_100015189416_200000084601 [0,2,0,0,0,0|0,1,0]=3 8212 B16R1.88 Cc1c(cccc1CC(C)NCCCO)F 270004a_100000182051_200000084601 [0,2,0,0,0,0|1,0,0]=3 8213 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Br 270004a_100020639649_100000689217 [0,2,0,0,0,0|1,0,1]=4 8214 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100020639649_100000727212 [0,2,0,0,0,0|1,0,1]=4 8215 B16R1.659 C=CCCN(C)C(C)Cc1cccc(c1)F 270004a_100020639649_100000687711 [0,2,0,0,0,0|1,0,1]=4 8216 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCC#N 270004a_100000184479_100000689217 [0,2,0,0,0,0|1,0,1]=4 8217 B16R1.659 CC(Cc1cccc(c1)Br)N(C)CCCO 270004a_100000213112_100000689217 [0,2,0,0,0,0|1,0,0]=3 8218 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCC#N 270004a_100000184479_100000727212 [0,2,0,0,0,0|1,0,1]=4 8219 B16R1.659 CC(Cc1cccc(c1)Cl)N(C)CCCO 270004a_100000213112_100000727212 [0,2,0,0,0,0|1,0,0]=3 8220 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCC#N 270004a_100000184479_100000687711 [0,2,0,0,0,0|1,0,1]=4 8221 B16R1.659 CC(Cc1cccc(c1)F)N(C)CCCO 270004a_100000213112_100000687711 [0,2,0,0,0,0|1,0,0]=3 8222 B16R1.659 CCCCN(C)C(C)Cc1cc(ccn1)C 270004a_100000207549_200015184229 [0,2,0,0,0,0|2,0,0]=4 8223 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000207549_100000689217 [0,2,0,0,0,0|1,0,0]=3 8224 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000207549_100000727212 [0,2,0,0,0,0|1,0,0]=3 8225 B16R1.659 CCCCN(C)C(C)Cc1cccc(c1)F 270004a_100000207549_100000687711 [0,2,0,0,0,0|1,0,0]=3 8226 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000743101_100000689217 [0,2,0,0,0,0|2,0,0]=4 8227 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000743101_100000727212 [0,2,0,0,0,0|2,0,0]=4 8228 B16R1.659 COCCN(C)C(C)Cc1cccc(c1)F 270004a_100000743101_100000687711 [0,2,0,0,0,0|2,0,0]=4 8229 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000686725_100000689217 [0,2,0,0,0,0|2,0,0]=4 8230 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000686725_100000727212 [0,2,0,0,0,0|2,0,0]=4 8231 B16R1.659 CSCCN(C)C(C)Cc1cccc(c1)F 270004a_100000686725_100000687711 [0,2,0,0,0,0|2,0,0]=4 8232 B16R1.659 Cc1ccnc(c1)CC(C)N(C)CCCO 270004a_100000213112_200015184229 [0,2,0,0,0,0|2,0,0]=4 8233 B16R1.956 CC(Cc1cccc(c1)Br)N[C@H](C)CCO 270004a_100000706166_100000689217 [0,2,0,0,0,0|1,0,0]=3 8234 B16R1.956 CC(Cc1cccc(c1)Cl)N[C@H](C)CCO 270004a_100000706166_100000727212 [0,2,0,0,0,0|1,0,0]=3 8235 B16R1.956 CC(Cc1cccc(c1)F)N[C@H](C)CCO 270004a_100000706166_100000687711 [0,2,0,0,0,0|1,0,0]=3 8236 B16R1.956 CCCC(C)NC(C)Cc1cc(ccn1)C 270004a_100000741246_200015184229 [0,2,0,0,0,0|2,0,0]=4 8237 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)Br 270004a_100000741246_100000689217 [0,2,0,0,0,0|1,0,0]=3 8238 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)Cl 270004a_100000741246_100000727212 [0,2,0,0,0,0|1,0,0]=3 8239 B16R1.956 CCCC(C)NC(C)Cc1cccc(c1)F 270004a_100000741246_100000687711 [0,2,0,0,0,0|1,0,0]=3 8240 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)Br 270004a_100000764878_100000689217 [0,2,0,0,0,0|2,0,0]=4 8241 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)Cl 270004a_100000764878_100000727212 [0,2,0,0,0,0|2,0,0]=4 8242 B16R1.956 COC[C@@H](C)NC(C)Cc1cccc(c1)F 270004a_100000764878_100000687711 [0,2,0,0,0,0|2,0,0]=4 8243 B16R1.956 Cc1ccnc(c1)CC(C)N[C@H](C)CCO 270004a_100000706166_200015184229 [0,2,0,0,0,0|2,0,0]=4 8244 B16R1.1148 CC(Cc1cccc(c1)Br)NC[C@@H](F)CO 270004a_100015665980_100000689217 [0,2,0,0,0,0|1,0,0]=3 8245 B16R1.1148 CC(Cc1cccc(c1)Cl)NC[C@@H](F)CO 270004a_100015665980_100000727212 [0,2,0,0,0,0|1,0,0]=3 8246 B16R1.1148 CC(Cc1cccc(c1)F)NC[C@@H](F)CO 270004a_100015665980_100000687711 [0,2,0,0,0,0|1,0,0]=3 8247 B16R1.1148 CCC(C)CNC(C)Cc1cc(ccn1)C 270004a_100020588543_200015184229 [0,2,0,0,0,0|2,0,0]=4 8248 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)Br 270004a_100020588543_100000689217 [0,2,0,0,0,0|1,0,0]=3 8249 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)Cl 270004a_100020588543_100000727212 [0,2,0,0,0,0|1,0,0]=3 8250 B16R1.1148 CCC(C)CNC(C)Cc1cccc(c1)F 270004a_100020588543_100000687711 [0,2,0,0,0,0|1,0,0]=3 8251 B16R1.1148 CCC(O)CNC(C)Cc1cc(ccn1)C 270004a_100011218483_200015184229 [0,2,0,0,0,0|2,0,0]=4 8252 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)Br 270004a_100011218483_100000689217 [0,2,0,0,0,0|1,0,0]=3 8253 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)Cl 270004a_100011218483_100000727212 [0,2,0,0,0,0|1,0,0]=3 8254 B16R1.1148 CCC(O)CNC(C)Cc1cccc(c1)F 270004a_100011218483_100000687711 [0,2,0,0,0,0|1,0,0]=3 8255 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)Br 270004a_100020591295_100000689217 [0,2,0,0,0,0|2,0,0]=4 8256 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)Cl 270004a_100020591295_100000727212 [0,2,0,0,0,0|2,0,0]=4 8257 B16R1.1148 CO[C@H](C)CNC(C)Cc1cccc(c1)F 270004a_100020591295_100000687711 [0,2,0,0,0,0|2,0,0]=4 8258 B16R1.1148 Cc1ccnc(c1)CC(C)NC[C@@H](F)CO 270004a_100015665980_200015184229 [0,2,0,0,0,0|2,0,0]=4 8259 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000688953 [0,2,0,0,0,0|1,0,1]=4 8260 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000688953 [0,2,0,0,0,0|1,0,1]=4 8261 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000688953 [0,2,0,0,0,0|1,0,1]=4 8262 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000688953 [0,2,0,0,0,0|1,0,1]=4 8263 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000688953 [0,2,0,0,0,0|1,0,1]=4 8264 B16R1.1231 C#CCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000688953 [0,2,0,0,0,0|1,0,1]=4 8265 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000754431 [0,2,0,0,0,0|1,0,1]=4 8266 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000754431 [0,2,0,0,0,0|1,0,1]=4 8267 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000754431 [0,2,0,0,0,0|1,0,1]=4 8268 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000754431 [0,2,0,0,0,0|1,0,1]=4 8269 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000754431 [0,2,0,0,0,0|1,0,1]=4 8270 B16R1.1231 C=CCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000754431 [0,2,0,0,0,0|1,0,1]=4 8271 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000210211 [0,2,0,0,0,0|1,0,0]=3 8272 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000210210 [0,2,0,0,0,0|1,0,0]=3 8273 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000210211 [0,2,0,0,0,0|1,0,0]=3 8274 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000210210 [0,2,0,0,0,0|1,0,0]=3 8275 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000210211 [0,2,0,0,0,0|1,0,0]=3 8276 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000210210 [0,2,0,0,0,0|1,0,0]=3 8277 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100011201679 [0,2,0,0,0,0|2,0,0]=4 8278 B16R1.1231 COCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100011201679 [0,2,0,0,0,0|2,0,0]=4 8279 B16R1.1231 COCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100011201679 [0,2,0,0,0,0|2,0,0]=4 8280 B16R1.1231 COCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100011201679 [0,2,0,0,0,0|2,0,0]=4 8281 B16R1.1231 COCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100011201679 [0,2,0,0,0,0|2,0,0]=4 8282 B16R1.1231 COCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100011201679 [0,2,0,0,0,0|2,0,0]=4 8283 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000751147 [0,2,0,0,0,0|2,0,0]=4 8284 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000212216 [0,2,0,0,0,0|2,0,0]=4 8285 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000751147 [0,2,0,0,0,0|2,0,0]=4 8286 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000212216 [0,2,0,0,0,0|2,0,0]=4 8287 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000751147 [0,2,0,0,0,0|2,0,0]=4 8288 B16R1.1231 CSCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000212216 [0,2,0,0,0,0|2,0,0]=4 8289 B16R1.1231 Cc1cccc(c1)CC(CO)NCCC#N 2230a_100000716799_100011215226 [0,2,0,0,0,0|1,0,1]=4 8290 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCF 2230a_100000716799_100011934791 [0,2,0,0,0,0|0,1,0]=3 8291 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCF 34a_100000716799_100011934791 [0,2,0,0,0,0|0,1,0]=3 8292 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCO 2230a_100000716799_100000230001 [0,2,0,0,0,0|1,0,0]=3 8293 B16R1.1231 Cc1cccc(c1)CC(CO)NCCCO 34a_100000716799_100000230001 [0,2,0,0,0,0|1,0,0]=3 8294 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100011215226 [0,2,0,0,0,0|1,0,1]=4 8295 B16R1.1231 N#CCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100011215226 [0,2,0,0,0,0|1,0,1]=4 8296 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCF 2230a_114802770106_100011934791 [0,2,0,0,0,0|0,1,0]=3 8297 B16R1.1231 OCC(Cc1cccc(c1)Br)NCCCF 34a_114802770106_100011934791 [0,2,0,0,0,0|0,1,0]=3 8298 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCF 2230a_200012000099_100011934791 [0,2,0,0,0,0|0,1,0]=3 8299 B16R1.1231 OCC(Cc1cccc(c1)F)NCCCF 34a_200012000099_100011934791 [0,2,0,0,0,0|0,1,0]=3 8300 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000230001 [0,2,0,0,0,0|1,0,0]=3 8301 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000230001 [0,2,0,0,0,0|1,0,0]=3 8302 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000230001 [0,2,0,0,0,0|1,0,0]=3 8303 B16R1.1231 OCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000230001 [0,2,0,0,0,0|1,0,0]=3 8304 B16R1.7379 C=CCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100015191253_200012258975 [0,2,0,0,0,0|1,0,1]=4 8305 B16R1.7379 C=CCCNC(C)Cc1cc(ccc1F)F 270004a_100015191253_200011522264 [0,2,0,0,0,0|1,0,1]=4 8306 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCC#N 270004a_100000720768_200012258975 [0,2,0,0,0,0|1,0,1]=4 8307 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCCF 270004a_100015189416_200012258975 [0,2,0,0,0,0|0,1,0]=3 8308 B16R1.7379 CC(Cc1cc(ccc1Cl)Cl)NCCCO 270004a_100000182051_200012258975 [0,2,0,0,0,0|1,0,0]=3 8309 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCC#N 270004a_100000720768_200011522264 [0,2,0,0,0,0|1,0,1]=4 8310 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCCF 270004a_100015189416_200011522264 [0,2,0,0,0,0|0,1,0]=3 8311 B16R1.7379 CC(Cc1cc(ccc1F)F)NCCCO 270004a_100000182051_200011522264 [0,2,0,0,0,0|1,0,0]=3 8312 B16R1.7379 CCCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100000102301_200012258975 [0,2,0,0,0,0|1,0,0]=3 8313 B16R1.7379 CCCCNC(C)Cc1cc(ccc1F)F 270004a_100000102301_200011522264 [0,2,0,0,0,0|1,0,0]=3 8314 B16R1.7379 COCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100000209980_200012258975 [0,2,0,0,0,0|2,0,0]=4 8315 B16R1.7379 COCCNC(C)Cc1cc(ccc1F)F 270004a_100000209980_200011522264 [0,2,0,0,0,0|2,0,0]=4 8316 B16R1.7379 CSCCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100020590264_200012258975 [0,2,0,0,0,0|2,0,0]=4 8317 B16R1.7379 CSCCNC(C)Cc1cc(ccc1F)F 270004a_100020590264_200011522264 [0,2,0,0,0,0|2,0,0]=4 8318 B16R1.7381 C=CCCNC(C)Cc1cc(cc(c1)F)F 270004a_100015191253_200011487669 [0,2,0,0,0,0|1,0,1]=4 8319 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCC#N 270004a_100000720768_200011487669 [0,2,0,0,0,0|1,0,1]=4 8320 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCF 270004a_100015189416_200011487669 [0,2,0,0,0,0|0,1,0]=3 8321 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCO 270004a_100000182051_200011487669 [0,2,0,0,0,0|1,0,0]=3 8322 B16R1.7381 CCCCNC(C)Cc1cc(cc(c1)F)F 270004a_100000102301_200011487669 [0,2,0,0,0,0|1,0,0]=3 8323 B16R1.7381 COCCNC(C)Cc1cc(cc(c1)F)F 270004a_100000209980_200011487669 [0,2,0,0,0,0|2,0,0]=4 8324 B16R1.7381 CSCCNC(C)Cc1cc(cc(c1)F)F 270004a_100020590264_200011487669 [0,2,0,0,0,0|2,0,0]=4 8325 B16R1.7389 C=CCCNC(C)Cc1cccc(c1)OC 270004a_100015191253_100011218204 [0,2,0,0,0,0|1,0,1]=4 8326 B16R1.7389 CCCCNC(C)Cc1cccc(c1)OC 270004a_100000102301_100011218204 [0,2,0,0,0,0|1,0,0]=3 8327 B16R1.7389 COCCNC(C)Cc1cccc(c1)OC 270004a_100000209980_100011218204 [0,2,0,0,0,0|2,0,0]=4 8328 B16R1.7389 COc1cccc(c1)CC(C)NCCC#N 270004a_100000720768_100011218204 [0,2,0,0,0,0|1,0,1]=4 8329 B16R1.7389 COc1cccc(c1)CC(C)NCCCF 270004a_100015189416_100011218204 [0,2,0,0,0,0|0,1,0]=3 8330 B16R1.7389 COc1cccc(c1)CC(C)NCCCO 270004a_100000182051_100011218204 [0,2,0,0,0,0|1,0,0]=3 8331 B16R1.7389 COc1cccc(c1)CC(C)NCCSC 270004a_100020590264_100011218204 [0,2,0,0,0,0|2,0,0]=4 8332 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)Br 270004a_100000210545_100000689217 [0,2,0,0,0,0|1,0,0]=3 8333 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)Cl 270004a_100000210545_100000727212 [0,2,0,0,0,0|1,0,0]=3 8334 B16R1.11236 CC(C)CCNC(C)Cc1cccc(c1)F 270004a_100000210545_100000687711 [0,2,0,0,0,0|1,0,0]=3 8335 B16R1.11236 CC(Cc1cccc(c1)Br)NCCN(C)C 270004a_100000210585_100000689217 [0,2,0,0,0,0|2,0,0]=4 8336 B16R1.11236 CC(Cc1cccc(c1)Cl)NCCN(C)C 270004a_100000210585_100000727212 [0,2,0,0,0,0|2,0,0]=4 8337 B16R1.11236 CC(Cc1cccc(c1)F)NCCN(C)C 270004a_100000210585_100000687711 [0,2,0,0,0,0|2,0,0]=4 8338 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)Br 270004a_200000755665_100000689217 [0,2,0,0,0,0|1,0,0]=3 8339 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)Cl 270004a_200000755665_100000727212 [0,2,0,0,0,0|1,0,0]=3 8340 B16R1.11236 CC(O)CCNC(C)Cc1cccc(c1)F 270004a_200000755665_100000687711 [0,2,0,0,0,0|1,0,0]=3 8341 B16R1.11236 Cc1ccnc(c1)CC(C)NCCC(C)C 270004a_100000210545_200015184229 [0,2,0,0,0,0|2,0,0]=4 8342 B16R1.11236 Cc1ccnc(c1)CC(C)NCCC(C)O 270004a_200000755665_200015184229 [0,2,0,0,0,0|2,0,0]=4 8343 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000688953 [0,2,0,0,0,0|1,0,1]=4 8344 B16R1.126 C#CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000730999 [0,2,0,0,0,0|1,0,1]=4 8345 B16R1.126 C=CCCN(C)C(CC)Cc1ccccc1 270004a_100020639649_100000212045 [0,2,0,0,0,0|1,0,1]=4 8346 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000754431 [0,2,0,0,0,0|1,0,1]=4 8347 B16R1.126 C=CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000754431 [0,2,0,0,0,0|1,0,1]=4 8348 B16R1.126 CCC(Cc1ccccc1)N(C)CCC#N 270004a_100000184479_100000212045 [0,2,0,0,0,0|1,0,1]=4 8349 B16R1.126 CCC(Cc1ccccc1)N(C)CCCO 270004a_100000213112_100000212045 [0,2,0,0,0,0|1,0,0]=3 8350 B16R1.126 CCC(Cc1ccccc1)N(C)CCOC 270004a_100000743101_100000212045 [0,2,0,0,0,0|2,0,0]=4 8351 B16R1.126 CCC(Cc1ccccc1)N(C)CCSC 270004a_100000686725_100000212045 [0,2,0,0,0,0|2,0,0]=4 8352 B16R1.126 CCCCN(C)C(CC)Cc1ccccc1 270004a_100000207549_100000212045 [0,2,0,0,0,0|1,0,0]=3 8353 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210211 [0,2,0,0,0,0|1,0,0]=3 8354 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210211 [0,2,0,0,0,0|1,0,0]=3 8355 B16R1.126 CCOCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000739092 [0,2,0,0,0,0|2,0,0]=4 8356 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215226 [0,2,0,0,0,0|1,0,1]=4 8357 B16R1.126 CN(CCC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215226 [0,2,0,0,0,0|1,0,1]=4 8358 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011934791 [0,2,0,0,0,0|0,1,0]=3 8359 B16R1.126 CN(CCCF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011934791 [0,2,0,0,0,0|0,1,0]=3 8360 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000230001 [0,2,0,0,0,0|1,0,0]=3 8361 B16R1.126 CN(CCCO)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011215043 [0,2,0,0,0,0|1,0,0]=3 8362 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011201679 [0,2,0,0,0,0|2,0,0]=4 8363 B16R1.126 COCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000233755 [0,2,0,0,0,0|2,0,0]=4 8364 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000751147 [0,2,0,0,0,0|2,0,0]=4 8365 B16R1.126 CSCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000212216 [0,2,0,0,0,0|2,0,0]=4 8366 B16R1.945 CC(CCO)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100009893172 [0,2,0,0,0,0|2,0,0]=4 8367 B16R1.945 CC(CCO)N(C)C(C)C[n+]1ccccc1 270004a_100000731037_100000034229 [0,2,0,0,0,0|2,0,0]=4 8368 B16R1.945 CC(CCO)N(C)C(C)Cc1ccccc1 269982a_100000731037_200011218536 [0,2,0,0,0,0|1,0,0]=3 8369 B16R1.945 CC(CCO)N(C)C(C)Cc1ccccn1 2230a_200011351704_100009893172 [0,2,0,0,0,0|2,0,0]=4 8370 B16R1.945 CC(CCO)N(C)C(C)Cc1ccccn1 269982a_200011351704_100009893172 [0,2,0,0,0,0|2,0,0]=4 8371 B16R1.945 CC(CCO)N(C)C(C)Cc1cccnc1 270004a_100000731037_100015187140 [0,2,0,0,0,0|2,0,0]=4 8372 B16R1.945 CC(CCO)N(C)C(C)Cc1ccncc1 270004a_100000731037_100000238508 [0,2,0,0,0,0|2,0,0]=4 8373 B16R1.945 CCCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000210906_200011218536 [0,2,0,0,0,0|2,0,0]=4 8374 B16R1.945 CCCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100000766640 [0,2,0,0,0,0|2,0,0]=4 8375 B16R1.945 CCCC(C)N(C)C(C)Cc1ccccn1 2230a_200011351704_100000766640 [0,2,0,0,0,0|2,0,0]=4 8376 B16R1.945 CCCC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100000766640 [0,2,0,0,0,0|2,0,0]=4 8377 B16R1.945 CCCC(C)N(C)C(C)Cc1ccccn1 270004a_200011351704_100000211909 [0,2,0,0,0,0|2,0,0]=4 8378 B16R1.945 CCC[C@H](O)C(=O)C(C)Cc1ccccc1 1458a_100009822183_200011218536 [0,2,0,0,0,0|2,0,0]=4 8379 B16R1.1127 CC(C[n+]1ccccc1)N(C)CC(O)CO 270004a_100011216503_100000034229 [0,2,0,0,0,0|2,0,0]=4 8380 B16R1.1127 CC(Cc1ccccc1)C(=O)C[C@@H](C)CO 1458a_100000754839_100000059175 [0,2,0,0,0,0|2,0,0]=4 8381 B16R1.1127 CC(Cc1ccccc1)N(C)CC(O)CO 269982a_100011216503_200011218536 [0,2,0,0,0,0|1,0,0]=3 8382 B16R1.1127 CC(Cc1ccccn1)N(C)CC(O)CO 2230a_200011351704_100011219619 [0,2,0,0,0,0|2,0,0]=4 8383 B16R1.1127 CC(Cc1ccccn1)N(C)C[C@@H](C)CO 2230a_200011351704_100000059175 [0,2,0,0,0,0|2,0,0]=4 8384 B16R1.1127 CC(Cc1ccccn1)N(C)C[C@@H](C)CO 269982a_200011351704_100000059175 [0,2,0,0,0,0|2,0,0]=4 8385 B16R1.1127 CC(Cc1ccccn1)N(C)C[C@@H](O)CF 2230a_200011351704_100015614560 [0,2,0,0,0,0|1,1,0]=4 8386 B16R1.1127 CC(Cc1ccccn1)N(C)C[C@@H](O)CO 2230a_200011351704_100009815848 [0,2,0,0,0,0|2,0,0]=4 8387 B16R1.1127 CC(Cc1cccnc1)N(C)CC(O)CO 270004a_100011216503_100015187140 [0,2,0,0,0,0|2,0,0]=4 8388 B16R1.1127 CC(Cc1ccncc1)N(C)CC(O)CO 270004a_100011216503_100000238508 [0,2,0,0,0,0|2,0,0]=4 8389 B16R1.1127 CCC(C)CC(=O)C(C)Cc1ccccc1 1458a_100000708755_200011218536 [0,2,0,0,0,0|2,0,0]=4 8390 B16R1.1127 CCC(C)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000748023 [0,2,0,0,0,0|2,0,0]=4 8391 B16R1.1127 CCC(C)CN(C)C(C)C[n+]1ccccc1 270004a_100000753921_100000034229 [0,2,0,0,0,0|2,0,0]=4 8392 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccc1 269982a_100000753921_200011218536 [0,2,0,0,0,0|1,0,0]=3 8393 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000748023 [0,2,0,0,0,0|2,0,0]=4 8394 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000748023 [0,2,0,0,0,0|2,0,0]=4 8395 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccccn1 270004a_200011351704_100000243153 [0,2,0,0,0,0|2,0,0]=4 8396 B16R1.1127 CCC(C)CN(C)C(C)Cc1cccnc1 270004a_100000753921_100015187140 [0,2,0,0,0,0|2,0,0]=4 8397 B16R1.1127 CCC(C)CN(C)C(C)Cc1ccncc1 270004a_100000753921_100000238508 [0,2,0,0,0,0|2,0,0]=4 8398 B16R1.1127 CCC(O)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011218378 [0,2,0,0,0,0|2,0,0]=4 8399 B16R1.1127 CCC(O)CC(=O)C(C)Cc1ccccc1 1458a_100011667805_200011218536 [0,2,0,0,0,0|2,0,0]=4 8400 B16R1.1127 CCC(O)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218378 [0,2,0,0,0,0|2,0,0]=4 8401 B16R1.1127 CCC(O)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218378 [0,2,0,0,0,0|2,0,0]=4 8402 B16R1.1127 CC[C@H](C)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100009816398 [0,2,0,0,0,0|2,0,0]=4 8403 B16R1.1127 CC[C@H](C)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100009816398 [0,2,0,0,0,0|2,0,0]=4 8404 B16R1.1127 CC[C@H](C)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100009816398 [0,2,0,0,0,0|2,0,0]=4 8405 B16R1.1284 CC(C)CCC(=O)C(C)Cc1ccccc1 1458a_100000181311_200011218536 [0,2,0,0,0,0|2,0,0]=4 8406 B16R1.1284 CC(C)CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210312 [0,2,0,0,0,0|2,0,0]=4 8407 B16R1.1284 CC(C)CCN(C)C(C)C[n+]1ccccc1 270004a_100000742789_100000034229 [0,2,0,0,0,0|2,0,0]=4 8408 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccccc1 269982a_100000742789_200011218536 [0,2,0,0,0,0|1,0,0]=3 8409 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210312 [0,2,0,0,0,0|2,0,0]=4 8410 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210312 [0,2,0,0,0,0|2,0,0]=4 8411 B16R1.1284 CC(C)CCN(C)C(C)Cc1cccnc1 270004a_100000742789_100015187140 [0,2,0,0,0,0|2,0,0]=4 8412 B16R1.1284 CC(C)CCN(C)C(C)Cc1ccncc1 270004a_100000742789_100000238508 [0,2,0,0,0,0|2,0,0]=4 8413 B16R1.1284 CC(Cc1ccccc1)N(C)CCN(C)C 269982a_100000225618_200011218536 [0,2,0,0,0,0|2,0,0]=4 8414 B16R1.1284 CC(O)CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100012276601 [0,2,0,0,0,0|2,0,0]=4 8415 B16R1.1284 CC(O)CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100012276601 [0,2,0,0,0,0|2,0,0]=4 8416 B16R1.1284 CC(O)CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100012276601 [0,2,0,0,0,0|2,0,0]=4 8417 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)CCCF 1458a_100000757416_100011934791 [0,2,0,0,0,0|1,1,0]=4 8418 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)CCCO 1458a_100000757416_100011215043 [0,2,0,0,0,0|2,0,0]=4 8419 B16R1.1793 CCCCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000210211 [0,2,0,0,0,0|2,0,0]=4 8420 B16R1.4510 CCCCN(CC)C(C)C[n+]1ccccc1 270004a_100000207695_100000034229 [0,2,0,0,0,0|2,0,0]=4 8421 B16R1.4510 CCCCN(CC)C(C)Cc1ccccc1 269982a_100000207695_200011218536 [0,2,0,0,0,0|1,0,0]=3 8422 B16R1.4510 CCCCN(CC)C(C)Cc1cccnc1 270004a_100000207695_100015187140 [0,2,0,0,0,0|2,0,0]=4 8423 B16R1.4510 CCCCN(CC)C(C)Cc1ccncc1 270004a_100000207695_100000238508 [0,2,0,0,0,0|2,0,0]=4 8424 B16R1.4510 CCN(CCOC)C(C)Cc1ccccc1 269982a_100000731262_200011218536 [0,2,0,0,0,0|2,0,0]=4 8425 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Br 270004a_100020639649_100011350739 [0,2,0,0,0,0|1,0,1]=4 8426 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1C 270004a_100020639649_200000764500 [0,2,0,0,0,0|1,0,1]=4 8427 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1Cl 270004a_100020639649_100000758791 [0,2,0,0,0,0|1,0,1]=4 8428 B16R1.7523 C=CCCN(C)C(C)Cc1ccccc1F 270004a_100020639649_100000709178 [0,2,0,0,0,0|1,0,1]=4 8429 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCC#N 270004a_100000184479_100011350739 [0,2,0,0,0,0|1,0,1]=4 8430 B16R1.7523 CC(Cc1ccccc1Br)N(C)CCCO 270004a_100000213112_100011350739 [0,2,0,0,0,0|1,0,0]=3 8431 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCC#N 270004a_100000184479_100000758791 [0,2,0,0,0,0|1,0,1]=4 8432 B16R1.7523 CC(Cc1ccccc1Cl)N(C)CCCO 270004a_100000213112_100000758791 [0,2,0,0,0,0|1,0,0]=3 8433 B16R1.7523 CC(Cc1ccccc1F)N(C)CCC#N 270004a_100000184479_100000709178 [0,2,0,0,0,0|1,0,1]=4 8434 B16R1.7523 CC(Cc1ccccc1F)N(C)CCCO 270004a_100000213112_100000709178 [0,2,0,0,0,0|1,0,0]=3 8435 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Br 270004a_100000207549_100011350739 [0,2,0,0,0,0|1,0,0]=3 8436 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1C 270004a_100000207549_200000764500 [0,2,0,0,0,0|1,0,0]=3 8437 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1Cl 270004a_100000207549_100000758791 [0,2,0,0,0,0|1,0,0]=3 8438 B16R1.7523 CCCCN(C)C(C)Cc1ccccc1F 270004a_100000207549_100000709178 [0,2,0,0,0,0|1,0,0]=3 8439 B16R1.7523 CCCCN(C)C(C)Cc1ncccc1C 270004a_100000207549_100011823981 [0,2,0,0,0,0|2,0,0]=4 8440 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Br 270004a_100000743101_100011350739 [0,2,0,0,0,0|2,0,0]=4 8441 B16R1.7523 COCCN(C)C(C)Cc1ccccc1C 270004a_100000743101_200000764500 [0,2,0,0,0,0|2,0,0]=4 8442 B16R1.7523 COCCN(C)C(C)Cc1ccccc1Cl 270004a_100000743101_100000758791 [0,2,0,0,0,0|2,0,0]=4 8443 B16R1.7523 COCCN(C)C(C)Cc1ccccc1F 270004a_100000743101_100000709178 [0,2,0,0,0,0|2,0,0]=4 8444 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Br 270004a_100000686725_100011350739 [0,2,0,0,0,0|2,0,0]=4 8445 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1C 270004a_100000686725_200000764500 [0,2,0,0,0,0|2,0,0]=4 8446 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1Cl 270004a_100000686725_100000758791 [0,2,0,0,0,0|2,0,0]=4 8447 B16R1.7523 CSCCN(C)C(C)Cc1ccccc1F 270004a_100000686725_100000709178 [0,2,0,0,0,0|2,0,0]=4 8448 B16R1.7523 Cc1ccccc1CC(C)N(C)CCC#N 270004a_100000184479_200000764500 [0,2,0,0,0,0|1,0,1]=4 8449 B16R1.7523 Cc1ccccc1CC(C)N(C)CCCO 270004a_100000213112_200000764500 [0,2,0,0,0,0|1,0,0]=3 8450 B16R1.7523 Cc1cccnc1CC(C)N(C)CCCO 270004a_100000213112_100011823981 [0,2,0,0,0,0|2,0,0]=4 8451 B16R1.7641 CN(Cc1ccccc1)S(=O)(=O)CCCCl 270084a_100000186898_100000211827 [0,2,0,0,0,0|2,0,0]=4 8452 B16R1.177 C#CC(CCC)OC(C)Cc1ccccc1 34a_200011217317_200011218536 [0,2,0,0,0,0|2,0,0]=4 8453 B16R1.177 C#CC(CCC)OC(C)Cc1ccccc1 7a_200011217317_200011218536 [0,2,0,0,0,0|2,0,0]=4 8454 B16R1.177 C=CC(CCC)OC(C)Cc1ccccc1 34a_100011216692_200011218536 [0,2,0,0,0,0|2,0,0]=4 8455 B16R1.177 C=CC(CCC)OC(C)Cc1ccccc1 7a_100011216692_200011218536 [0,2,0,0,0,0|2,0,0]=4 8456 B16R1.177 CCCC(C#N)OC(C)Cc1ccccc1 34a_100000686963_200011218536 [0,2,0,0,0,0|2,0,0]=4 8457 B16R1.177 CCCC(C#N)OC(C)Cc1ccccc1 7a_100000686963_200011218536 [0,2,0,0,0,0|2,0,0]=4 8458 B16R1.177 CCCC(CC)NC(C)C[n+]1ccccc1 270004a_100000747048_100000034229 [0,2,0,0,0,0|2,0,0]=4 8459 B16R1.177 CCCC(CC)NC(C)Cc1ccccn1 270004a_100000238496_100000687865 [0,2,0,0,0,0|2,0,0]=4 8460 B16R1.177 CCCC(CC)NC(C)Cc1cccnc1 270004a_100000747048_100015187140 [0,2,0,0,0,0|2,0,0]=4 8461 B16R1.177 CCCC(CC)NC(C)Cc1cccnc1 270004a_100011207255_100000687865 [0,2,0,0,0,0|2,0,0]=4 8462 B16R1.177 CCCC(CC)NC(C)Cc1ccncc1 270004a_100000747048_100000238508 [0,2,0,0,0,0|2,0,0]=4 8463 B16R1.177 CCCC(CC)OC(C)Cc1ccccc1 34a_100000687864_200011218536 [0,2,0,0,0,0|2,0,0]=4 8464 B16R1.177 CCCC(CC)OC(C)Cc1ccccc1 7a_100000687864_200011218536 [0,2,0,0,0,0|2,0,0]=4 8465 B16R1.177 CCCC(CC)OC(C)Cc1ccccc1 7a_100000748627_100011219200 [0,2,0,0,0,0|2,0,0]=4 8466 B16R1.177 CCCC(CC)SC(C)Cc1ccccc1 62a_100011219200_200011218536 [0,2,0,0,0,0|2,0,0]=4 8467 B16R1.177 CCCC(CC)SC(C)Cc1ccccc1 62a_200011218536_100011219200 [0,2,0,0,0,0|2,0,0]=4 8468 B16R1.177 CCC[C@@H](CO)NC(C)Cc1ccccc1 34a_100000732646_200011218536 [0,2,0,0,0,0|1,0,0]=3 8469 B16R1.177 COCC(CO)NC(C)Cc1ccccc1 34a_100000724102_200011218536 [0,2,0,0,0,0|2,0,0]=4 8470 B16R1.936 CC(CC#N)NC(CO)Cc1ccccc1 2230a_100000739027_100009813641 [0,2,0,0,0,0|1,0,1]=4 8471 B16R1.936 CC(CCO)NC(C#N)Cc1ccccc1 2230a_100000746547_100009893172 [0,2,0,0,0,0|1,0,1]=4 8472 B16R1.936 CC(CCO)NC(CO)Cc1ccccc1 2230a_100000739027_100009893172 [0,2,0,0,0,0|1,0,0]=3 8473 B16R1.936 CC(CCO)NC(CO)Cc1cccnc1 2230a_100000717814_100009893172 [0,2,0,0,0,0|2,0,0]=4 8474 B16R1.936 CC(CCO)NC(CO)Cc1ccncc1 2230a_100000717866_100009893172 [0,2,0,0,0,0|2,0,0]=4 8475 B16R1.936 CC(CCO)OC(CN)Cc1ccccc1 34a_100000752270_100009893172 [0,2,0,0,0,0|2,0,0]=4 8476 B16R1.936 CC(CCO)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100009893172 [0,2,0,0,0,0|2,0,0]=4 8477 B16R1.936 CCC(Cc1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000212045 [0,2,0,0,0,0|1,0,0]=3 8478 B16R1.936 CCC(Cc1ccccc1)N[C@H](C)COC 270004a_100000764878_100000212045 [0,2,0,0,0,0|2,0,0]=4 8479 B16R1.936 CCC(Cc1ccccc1)OC(C)CCO 7a_100000760156_100009893172 [0,2,0,0,0,0|2,0,0]=4 8480 B16R1.936 CCCC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100000211992 [0,2,0,0,0,0|1,0,1]=4 8481 B16R1.936 CCCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100000211992 [0,2,0,0,0,0|1,0,1]=4 8482 B16R1.936 CCCC(C)NC(C#N)Cc1ccccc1 2230a_100000746547_100000766640 [0,2,0,0,0,0|1,0,1]=4 8483 B16R1.936 CCCC(C)NC(CC)Cc1ccccc1 270004a_100000741246_100000212045 [0,2,0,0,0,0|1,0,0]=3 8484 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000766640 [0,2,0,0,0,0|1,0,0]=3 8485 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000211909 [0,2,0,0,0,0|1,0,0]=3 8486 B16R1.936 CCCC(C)NC(CO)Cc1cccnc1 2230a_100000717814_100000766640 [0,2,0,0,0,0|2,0,0]=4 8487 B16R1.936 CCCC(C)NC(CO)Cc1cccnc1 270004a_100000717814_100000211909 [0,2,0,0,0,0|2,0,0]=4 8488 B16R1.936 CCCC(C)NC(CO)Cc1ccncc1 2230a_100000717866_100000766640 [0,2,0,0,0,0|2,0,0]=4 8489 B16R1.936 CCCC(C)NC(CO)Cc1ccncc1 270004a_100000717866_100000211909 [0,2,0,0,0,0|2,0,0]=4 8490 B16R1.936 CCCC(C)OC(CC)Cc1ccccc1 7a_100000760156_100000766640 [0,2,0,0,0,0|2,0,0]=4 8491 B16R1.936 CCCC(C)OC(CN)Cc1ccccc1 34a_100000752270_100000766640 [0,2,0,0,0,0|2,0,0]=4 8492 B16R1.936 CCCC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100000766640 [0,2,0,0,0,0|2,0,0]=4 8493 B16R1.936 COCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000765312 [0,2,0,0,0,0|2,0,0]=4 8494 B16R1.936 COCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000749346 [0,2,0,0,0,0|2,0,0]=4 8495 B16R1.936 CSCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100011216314 [0,2,0,0,0,0|2,0,0]=4 8496 B16R1.936 O=C(CCO)NC(CO)Cc1ccccc1 240690a_100000739027_100011216618 [0,2,0,0,0,0|1,0,1]=4 8497 B16R1.1660 CCC(C)C(C)NC(C)Cc1ccccn1 269862a_100000238496_100000210599 [0,2,0,0,0,0|2,0,0]=4 8498 B16R1.1660 CCC(C)C(C)NC(C)Cc1ccccn1 270004a_100000238496_100000210599 [0,2,0,0,0,0|2,0,0]=4 8499 B16R1.1660 CCC(C)C(C)NC(C)Cc1cccnc1 269862a_100011207255_100000210599 [0,2,0,0,0,0|2,0,0]=4 8500 B16R1.1660 CCC(C)C(C)NC(C)Cc1cccnc1 270004a_100011207255_100000210599 [0,2,0,0,0,0|2,0,0]=4 8501 B16R1.1660 CCC(C)C(C)OC(C)Cc1ccccc1 7a_100011215189_200011218536 [0,2,0,0,0,0|2,0,0]=4 8502 B16R1.2180 CC(CCO)OC(C)(C)Cc1ccccc1 7a_100011215222_100009893172 [0,2,0,0,0,0|2,0,0]=4 8503 B16R1.2180 CCCC(C)OC(C)(C)Cc1ccccc1 7a_100011215222_100000766640 [0,2,0,0,0,0|2,0,0]=4 8504 B16R1.3991 CC(C[n+]1ccccc1)NC(C)(C)CCO 270004a_100000763138_100000034229 [0,2,0,0,0,0|2,0,0]=4 8505 B16R1.3991 CC(Cc1ccccc1)OC(C)(C)CCBr 7a_100000702414_200011218536 [0,2,0,0,0,0|1,1,0]=4 8506 B16R1.3991 CC(Cc1ccccn1)NS(=O)(=O)CCCl 270084a_100000238496_100000184613 [0,2,0,0,0,0|2,0,0]=4 8507 B16R1.3991 CC(Cc1ccccn1)NS(=O)(=O)CCCl 274078a_100000238496_100000184613 [0,2,0,0,0,0|2,0,0]=4 8508 B16R1.3991 CC(Cc1cccnc1)NC(C)(C)CCO 270004a_100000763138_100015187140 [0,2,0,0,0,0|2,0,0]=4 8509 B16R1.3991 CC(Cc1cccnc1)NS(=O)(=O)CCCl 270084a_100011207255_100000184613 [0,2,0,0,0,0|2,0,0]=4 8510 B16R1.3991 CC(Cc1cccnc1)NS(=O)(=O)CCCl 274078a_100011207255_100000184613 [0,2,0,0,0,0|2,0,0]=4 8511 B16R1.3991 CC(Cc1ccncc1)NC(C)(C)CCO 270004a_100000763138_100000238508 [0,2,0,0,0,0|2,0,0]=4 8512 B16R1.3991 CCCC(C)(C)OC(C)Cc1ccccc1 7a_100000748436_200011218536 [0,2,0,0,0,0|2,0,0]=4 8513 B16R1.3991 CSCC(C)(C)NC(C)Cc1ccccc1 7a_100000759623_200011218536 [0,2,0,0,0,0|2,0,0]=4 8514 B16R1.4235 CC(Cc1ccccc1Br)N[C@H](C)CCO 270004a_100000706166_100011350739 [0,2,0,0,0,0|1,0,0]=3 8515 B16R1.4235 CC(Cc1ccccc1Cl)N[C@H](C)CCO 270004a_100000706166_100000758791 [0,2,0,0,0,0|1,0,0]=3 8516 B16R1.4235 CC(Cc1ccccc1F)N[C@H](C)CCO 270004a_100000706166_100000709178 [0,2,0,0,0,0|1,0,0]=3 8517 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1Br 270004a_100000741246_100011350739 [0,2,0,0,0,0|1,0,0]=3 8518 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1C 270004a_100000741246_200000764500 [0,2,0,0,0,0|1,0,0]=3 8519 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1Cl 270004a_100000741246_100000758791 [0,2,0,0,0,0|1,0,0]=3 8520 B16R1.4235 CCCC(C)NC(C)Cc1ccccc1F 270004a_100000741246_100000709178 [0,2,0,0,0,0|1,0,0]=3 8521 B16R1.4235 CCCC(C)NC(C)Cc1ncccc1C 270004a_100000741246_100011823981 [0,2,0,0,0,0|2,0,0]=4 8522 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1Br 270004a_100000764878_100011350739 [0,2,0,0,0,0|2,0,0]=4 8523 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1C 270004a_100000764878_200000764500 [0,2,0,0,0,0|2,0,0]=4 8524 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1Cl 270004a_100000764878_100000758791 [0,2,0,0,0,0|2,0,0]=4 8525 B16R1.4235 COC[C@@H](C)NC(C)Cc1ccccc1F 270004a_100000764878_100000709178 [0,2,0,0,0,0|2,0,0]=4 8526 B16R1.4235 Cc1ccccc1CC(C)N[C@H](C)CCO 270004a_100000706166_200000764500 [0,2,0,0,0,0|1,0,0]=3 8527 B16R1.4235 Cc1cccnc1CC(C)N[C@H](C)CCO 270004a_100000706166_100011823981 [0,2,0,0,0,0|2,0,0]=4 8528 B16R1.6940 CC(C)CC(C)NC(C)C[n+]1ccccc1 270004a_100000692259_100000034229 [0,2,0,0,0,0|2,0,0]=4 8529 B16R1.6940 CC(C)CC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000731052 [0,2,0,0,0,0|2,0,0]=4 8530 B16R1.6940 CC(C)CC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000731052 [0,2,0,0,0,0|2,0,0]=4 8531 B16R1.6940 CC(C)CC(C)NC(C)Cc1cccnc1 270004a_100000692259_100015187140 [0,2,0,0,0,0|2,0,0]=4 8532 B16R1.6940 CC(C)CC(C)NC(C)Cc1ccncc1 270004a_100000692259_100000238508 [0,2,0,0,0,0|2,0,0]=4 8533 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 34a_100000211805_200011218536 [0,2,0,0,0,0|2,0,0]=4 8534 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000731052 [0,2,0,0,0,0|2,0,0]=4 8535 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 7a_100000211805_200011218536 [0,2,0,0,0,0|2,0,0]=4 8536 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000731052 [0,2,0,0,0,0|2,0,0]=4 8537 B16R1.6940 CC(C)CC(C)SC(C)Cc1ccccc1 62a_100000731052_200011218536 [0,2,0,0,0,0|2,0,0]=4 8538 B16R1.6940 CC(C)CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000731052 [0,2,0,0,0,0|2,0,0]=4 8539 B16R1.360 CC(C[n+]1ccccc1)NCC(C)(C)CO 270004a_100020635058_100000034229 [0,2,0,0,0,0|2,0,0]=4 8540 B16R1.360 CC(Cc1ccccc1)OCC(C)(C)CCl 7a_100011217199_200011218536 [0,2,0,0,0,0|1,0,0]=3 8541 B16R1.360 CC(Cc1ccccc1)OCC(C)(C)CO 34a_100000748627_100009813988 [0,2,0,0,0,0|2,0,0]=4 8542 B16R1.360 CC(Cc1ccccc1)OCC(C)(C)CO 7a_100000748627_100009813988 [0,2,0,0,0,0|2,0,0]=4 8543 B16R1.360 CC(Cc1ccccc1)OCC(F)(F)CN 34a_100000703232_200011218536 [0,2,0,0,0,0|2,0,0]=4 8544 B16R1.360 CC(Cc1ccccc1)SCC(C)(C)CO 62a_100009813988_200011218536 [0,2,0,0,0,0|2,0,0]=4 8545 B16R1.360 CC(Cc1ccccc1)SCC(C)(C)CO 62a_200011218536_100009813988 [0,2,0,0,0,0|2,0,0]=4 8546 B16R1.360 CC(Cc1cccnc1)NCC(C)(C)CO 270004a_100020635058_100015187140 [0,2,0,0,0,0|2,0,0]=4 8547 B16R1.360 CC(Cc1ccncc1)NCC(C)(C)CO 270004a_100020635058_100000238508 [0,2,0,0,0,0|2,0,0]=4 8548 B16R1.360 CCC(C)(C)COC(C)Cc1ccccc1 7a_100000765029_200011218536 [0,2,0,0,0,0|2,0,0]=4 8549 B16R1.560 CCC(CC)CNC(C)C[n+]1ccccc1 270004a_100102946423_100000034229 [0,2,0,0,0,0|2,0,0]=4 8550 B16R1.560 CCC(CC)CNC(C)Cc1ccccn1 2230a_100000238496_100011215472 [0,2,0,0,0,0|2,0,0]=4 8551 B16R1.560 CCC(CC)CNC(C)Cc1ccccn1 269862a_100000238496_100000211137 [0,2,0,0,0,0|2,0,0]=4 8552 B16R1.560 CCC(CC)CNC(C)Cc1ccccn1 270004a_100000238496_100000211137 [0,2,0,0,0,0|2,0,0]=4 8553 B16R1.560 CCC(CC)CNC(C)Cc1cccnc1 2230a_100011207255_100011215472 [0,2,0,0,0,0|2,0,0]=4 8554 B16R1.560 CCC(CC)CNC(C)Cc1cccnc1 269862a_100011207255_100000211137 [0,2,0,0,0,0|2,0,0]=4 8555 B16R1.560 CCC(CC)CNC(C)Cc1cccnc1 270004a_100011207255_100000211137 [0,2,0,0,0,0|2,0,0]=4 8556 B16R1.560 CCC(CC)CNC(C)Cc1cccnc1 270004a_100102946423_100015187140 [0,2,0,0,0,0|2,0,0]=4 8557 B16R1.560 CCC(CC)CNC(C)Cc1ccncc1 270004a_100102946423_100000238508 [0,2,0,0,0,0|2,0,0]=4 8558 B16R1.560 CCC(CC)COC(C)Cc1ccccc1 34a_100000748627_100011215472 [0,2,0,0,0,0|2,0,0]=4 8559 B16R1.560 CCC(CC)COC(C)Cc1ccccc1 7a_100000703878_200011218536 [0,2,0,0,0,0|2,0,0]=4 8560 B16R1.560 CCC(CC)COC(C)Cc1ccccc1 7a_100000748627_100011215472 [0,2,0,0,0,0|2,0,0]=4 8561 B16R1.560 CCC(CC)CSC(C)Cc1ccccc1 62a_100011215472_200011218536 [0,2,0,0,0,0|2,0,0]=4 8562 B16R1.560 CCC(CC)CSC(C)Cc1ccccc1 62a_200011218536_100011215472 [0,2,0,0,0,0|2,0,0]=4 8563 B16R1.560 CCC(CNC(C)C[n+]1ccccc1)OC 270004a_100000731041_100000034229 [0,2,0,0,0,0|2,0,0]=4 8564 B16R1.560 CCC(CNC(C)Cc1cccnc1)OC 270004a_100000731041_100015187140 [0,2,0,0,0,0|2,0,0]=4 8565 B16R1.560 CCC(CNC(C)Cc1ccncc1)OC 270004a_100000731041_100000238508 [0,2,0,0,0,0|2,0,0]=4 8566 B16R1.560 CCC(COC(C)Cc1ccccc1)OC 34a_100011934954_200011218536 [0,2,0,0,0,0|2,0,0]=4 8567 B16R1.560 CCC(COC(C)Cc1ccccc1)OC 7a_100011934954_200011218536 [0,2,0,0,0,0|2,0,0]=4 8568 B16R1.4132 CC(C[n+]1ccccc1)NCC(O)C(C)C 270004a_100000759067_100000034229 [0,2,0,0,0,0|2,0,0]=4 8569 B16R1.4132 CC(Cc1ccccc1)NCC(C)C(=O)O 269956a_100000749485_200011218536 [0,2,0,0,0,0|1,0,1]=4 8570 B16R1.4132 CC(Cc1ccccc1)NCC(F)C(=O)O 269956a_100000084737_200011218536 [0,2,0,0,0,0|1,0,1]=4 8571 B16R1.4132 CC(Cc1ccccc1)NCC(O)C(C)C 34a_100000759067_200011218536 [0,2,0,0,0,0|1,0,0]=3 8572 B16R1.4132 CC(Cc1ccccc1)OC[C@H](N)C(C)C 34a_100011830312_200011218536 [0,2,0,0,0,0|2,0,0]=4 8573 B16R1.4132 CC(Cc1cccnc1)NCC(O)C(C)C 270004a_100000759067_100015187140 [0,2,0,0,0,0|2,0,0]=4 8574 B16R1.4132 CC(Cc1ccncc1)NCC(O)C(C)C 270004a_100000759067_100000238508 [0,2,0,0,0,0|2,0,0]=4 8575 B16R1.4400 C=CC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000730141 [0,2,0,0,0,0|1,0,1]=4 8576 B16R1.4400 CCC(C)CNC(C#N)Cc1ccccc1 2230a_100000746547_100000748023 [0,2,0,0,0,0|1,0,1]=4 8577 B16R1.4400 CCC(C)CNC(CC)Cc1ccccc1 270004a_100020588543_100000212045 [0,2,0,0,0,0|1,0,0]=3 8578 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 2230a_100000739027_100000748023 [0,2,0,0,0,0|1,0,0]=3 8579 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 270004a_100000739027_100000243153 [0,2,0,0,0,0|1,0,0]=3 8580 B16R1.4400 CCC(C)CNC(CO)Cc1cccnc1 2230a_100000717814_100000748023 [0,2,0,0,0,0|2,0,0]=4 8581 B16R1.4400 CCC(C)CNC(CO)Cc1cccnc1 270004a_100000717814_100000243153 [0,2,0,0,0,0|2,0,0]=4 8582 B16R1.4400 CCC(C)CNC(CO)Cc1ccncc1 2230a_100000717866_100000748023 [0,2,0,0,0,0|2,0,0]=4 8583 B16R1.4400 CCC(C)CNC(CO)Cc1ccncc1 270004a_100000717866_100000243153 [0,2,0,0,0,0|2,0,0]=4 8584 B16R1.4400 CCC(C)COC(CC)Cc1ccccc1 7a_100000760156_100000748023 [0,2,0,0,0,0|2,0,0]=4 8585 B16R1.4400 CCC(C)COC(CN)Cc1ccccc1 34a_100000752270_100000748023 [0,2,0,0,0,0|2,0,0]=4 8586 B16R1.4400 CCC(C)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000748023 [0,2,0,0,0,0|2,0,0]=4 8587 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](C)OC 270004a_100020591295_100000212045 [0,2,0,0,0,0|2,0,0]=4 8588 B16R1.4400 CCC(Cc1ccccc1)NC[C@@H](F)CO 270004a_100015665980_100000212045 [0,2,0,0,0,0|1,0,0]=3 8589 B16R1.4400 CCC(Cc1ccccc1)OCC(O)CO 7a_100000760156_100011219619 [0,2,0,0,0,0|2,0,0]=4 8590 B16R1.4400 CCC(Cc1ccccc1)OC[C@@H](C)CC 7a_100000760156_100009816398 [0,2,0,0,0,0|2,0,0]=4 8591 B16R1.4400 CCC(Cc1ccccc1)OC[C@@H](C)CO 7a_100000760156_100000059175 [0,2,0,0,0,0|2,0,0]=4 8592 B16R1.4400 CCC(Cc1ccccc1)OC[C@@H](O)CF 7a_100000760156_100015614560 [0,2,0,0,0,0|1,1,0]=4 8593 B16R1.4400 CCC(Cc1ccccc1)OC[C@@H](O)CO 7a_100000760156_100009815848 [0,2,0,0,0,0|2,0,0]=4 8594 B16R1.4400 CCC(O)CNC(C#N)Cc1ccccc1 2230a_100000746547_100011218378 [0,2,0,0,0,0|1,0,1]=4 8595 B16R1.4400 CCC(O)CNC(CC)Cc1ccccc1 270004a_100011218483_100000212045 [0,2,0,0,0,0|1,0,0]=3 8596 B16R1.4400 CCC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100011218378 [0,2,0,0,0,0|1,0,0]=3 8597 B16R1.4400 CCC(O)CNC(CO)Cc1cccnc1 2230a_100000717814_100011218378 [0,2,0,0,0,0|2,0,0]=4 8598 B16R1.4400 CCC(O)CNC(CO)Cc1ccncc1 2230a_100000717866_100011218378 [0,2,0,0,0,0|2,0,0]=4 8599 B16R1.4400 CCC(O)COC(CC)Cc1ccccc1 7a_100000760156_100011218378 [0,2,0,0,0,0|2,0,0]=4 8600 B16R1.4400 CCC(O)COC(CN)Cc1ccccc1 34a_100000752270_100011218378 [0,2,0,0,0,0|2,0,0]=4 8601 B16R1.4400 CCC(O)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011218378 [0,2,0,0,0,0|2,0,0]=4 8602 B16R1.4400 CC[C@H](C)CNC(C#N)Cc1ccccc1 2230a_100000746547_100009816398 [0,2,0,0,0,0|1,0,1]=4 8603 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccccc1 2230a_100000739027_100009816398 [0,2,0,0,0,0|1,0,0]=3 8604 B16R1.4400 CC[C@H](C)CNC(CO)Cc1cccnc1 2230a_100000717814_100009816398 [0,2,0,0,0,0|2,0,0]=4 8605 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccncc1 2230a_100000717866_100009816398 [0,2,0,0,0,0|2,0,0]=4 8606 B16R1.4400 CC[C@H](C)COC(CN)Cc1ccccc1 34a_100000752270_100009816398 [0,2,0,0,0,0|2,0,0]=4 8607 B16R1.4400 CC[C@H](C)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100009816398 [0,2,0,0,0,0|2,0,0]=4 8608 B16R1.4400 C[C@@H](CO)CNC(C#N)Cc1ccccc1 2230a_100000746547_100000059175 [0,2,0,0,0,0|1,0,1]=4 8609 B16R1.4400 C[C@@H](CO)CNC(CO)Cc1ccccc1 2230a_100000739027_100000059175 [0,2,0,0,0,0|1,0,0]=3 8610 B16R1.4400 C[C@@H](CO)CNC(CO)Cc1cccnc1 2230a_100000717814_100000059175 [0,2,0,0,0,0|2,0,0]=4 8611 B16R1.4400 C[C@@H](CO)CNC(CO)Cc1ccncc1 2230a_100000717866_100000059175 [0,2,0,0,0,0|2,0,0]=4 8612 B16R1.4400 C[C@@H](CO)COC(CN)Cc1ccccc1 34a_100000752270_100000059175 [0,2,0,0,0,0|2,0,0]=4 8613 B16R1.4400 C[C@@H](CO)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000059175 [0,2,0,0,0,0|2,0,0]=4 8614 B16R1.4400 N#CC(Cc1ccccc1)NCC(O)CO 2230a_100000746547_100011219619 [0,2,0,0,0,0|1,0,1]=4 8615 B16R1.4400 N#CC(Cc1ccccc1)NC[C@@H](O)CF 2230a_100000746547_100015614560 [0,2,0,0,0,0|0,1,1]=4 8616 B16R1.4400 N#CC(Cc1ccccc1)NC[C@@H](O)CO 2230a_100000746547_100009815848 [0,2,0,0,0,0|1,0,1]=4 8617 B16R1.4400 NCC(Cc1ccccc1)OCC(O)CO 34a_100000752270_100011219619 [0,2,0,0,0,0|2,0,0]=4 8618 B16R1.4400 NCC(Cc1ccccc1)OC[C@@H](O)CF 34a_100000752270_100015614560 [0,2,0,0,0,0|1,1,0]=4 8619 B16R1.4400 NCC(Cc1ccccc1)OC[C@@H](O)CO 34a_100000752270_100009815848 [0,2,0,0,0,0|2,0,0]=4 8620 B16R1.4400 OCC(Cc1ccccc1)NC[C@@H](O)CF 2230a_100000739027_100015614560 [0,2,0,0,0,0|0,1,0]=3 8621 B16R1.4400 OCC(Cc1ccccc1)NC[C@@H](O)CO 2230a_100000739027_100009815848 [0,2,0,0,0,0|1,0,0]=3 8622 B16R1.4400 OCC(Cc1cccnc1)NC[C@@H](O)CF 2230a_100000717814_100015614560 [0,2,0,0,0,0|1,1,0]=4 8623 B16R1.4400 OCC(Cc1cccnc1)NC[C@@H](O)CO 2230a_100000717814_100009815848 [0,2,0,0,0,0|2,0,0]=4 8624 B16R1.4400 OCC(Cc1ccncc1)NC[C@@H](O)CF 2230a_100000717866_100015614560 [0,2,0,0,0,0|1,1,0]=4 8625 B16R1.4400 OCC(Cc1ccncc1)NC[C@@H](O)CO 2230a_100000717866_100009815848 [0,2,0,0,0,0|2,0,0]=4 8626 B16R1.4400 OCC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100011219619 [0,2,0,0,0,0|1,0,0]=3 8627 B16R1.4400 OCC(O)CNC(CO)Cc1cccnc1 2230a_100000717814_100011219619 [0,2,0,0,0,0|2,0,0]=4 8628 B16R1.4400 OCC(O)CNC(CO)Cc1ccncc1 2230a_100000717866_100011219619 [0,2,0,0,0,0|2,0,0]=4 8629 B16R1.4400 OCC(O)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011219619 [0,2,0,0,0,0|2,0,0]=4 8630 B16R1.4400 OC[C@H](O)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100009815848 [0,2,0,0,0,0|2,0,0]=4 8631 B16R1.4400 O[C@@H](CF)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015614560 [0,2,0,0,0,0|1,1,0]=4 8632 B16R1.7458 CC(Cc1ccccc1Br)NC[C@@H](F)CO 270004a_100015665980_100011350739 [0,2,0,0,0,0|1,0,0]=3 8633 B16R1.7458 CC(Cc1ccccc1Cl)NC[C@@H](F)CO 270004a_100015665980_100000758791 [0,2,0,0,0,0|1,0,0]=3 8634 B16R1.7458 CC(Cc1ccccc1F)NC[C@@H](F)CO 270004a_100015665980_100000709178 [0,2,0,0,0,0|1,0,0]=3 8635 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1Br 270004a_100020588543_100011350739 [0,2,0,0,0,0|1,0,0]=3 8636 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1C 270004a_100020588543_200000764500 [0,2,0,0,0,0|1,0,0]=3 8637 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1Cl 270004a_100020588543_100000758791 [0,2,0,0,0,0|1,0,0]=3 8638 B16R1.7458 CCC(C)CNC(C)Cc1ccccc1F 270004a_100020588543_100000709178 [0,2,0,0,0,0|1,0,0]=3 8639 B16R1.7458 CCC(C)CNC(C)Cc1ncccc1C 270004a_100020588543_100011823981 [0,2,0,0,0,0|2,0,0]=4 8640 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1Br 270004a_100011218483_100011350739 [0,2,0,0,0,0|1,0,0]=3 8641 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1C 270004a_100011218483_200000764500 [0,2,0,0,0,0|1,0,0]=3 8642 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1Cl 270004a_100011218483_100000758791 [0,2,0,0,0,0|1,0,0]=3 8643 B16R1.7458 CCC(O)CNC(C)Cc1ccccc1F 270004a_100011218483_100000709178 [0,2,0,0,0,0|1,0,0]=3 8644 B16R1.7458 CCC(O)CNC(C)Cc1ncccc1C 270004a_100011218483_100011823981 [0,2,0,0,0,0|2,0,0]=4 8645 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1Br 270004a_100020591295_100011350739 [0,2,0,0,0,0|2,0,0]=4 8646 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1C 270004a_100020591295_200000764500 [0,2,0,0,0,0|2,0,0]=4 8647 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1Cl 270004a_100020591295_100000758791 [0,2,0,0,0,0|2,0,0]=4 8648 B16R1.7458 CO[C@H](C)CNC(C)Cc1ccccc1F 270004a_100020591295_100000709178 [0,2,0,0,0,0|2,0,0]=4 8649 B16R1.7458 Cc1ccccc1CC(C)NC[C@@H](F)CO 270004a_100015665980_200000764500 [0,2,0,0,0,0|1,0,0]=3 8650 B16R1.7458 Cc1cccnc1CC(C)NC[C@@H](F)CO 270004a_100015665980_100011823981 [0,2,0,0,0,0|2,0,0]=4 8651 B16R1.18389 CC(C)(Cc1ccccc1)OCC(O)CO 7a_100011215222_100011219619 [0,2,0,0,0,0|2,0,0]=4 8652 B16R1.18389 CC(C)(Cc1ccccc1)OC[C@@H](O)CF 7a_100011215222_100015614560 [0,2,0,0,0,0|1,1,0]=4 8653 B16R1.18389 CC(C)(Cc1ccccc1)OC[C@@H](O)CO 7a_100011215222_100009815848 [0,2,0,0,0,0|2,0,0]=4 8654 B16R1.18389 CCC(C)COC(C)(C)Cc1ccccc1 7a_100011215222_100000748023 [0,2,0,0,0,0|2,0,0]=4 8655 B16R1.18389 CCC(O)COC(C)(C)Cc1ccccc1 7a_100011215222_100011218378 [0,2,0,0,0,0|2,0,0]=4 8656 B16R1.18389 CC[C@H](C)COC(C)(C)Cc1ccccc1 7a_100011215222_100009816398 [0,2,0,0,0,0|2,0,0]=4 8657 B16R1.18389 C[C@@H](CO)COC(C)(C)Cc1ccccc1 7a_100011215222_100000059175 [0,2,0,0,0,0|2,0,0]=4 8658 B16R1.1438 C#CCCNC(COC)Cc1ccccc1 2230a_100000766165_100000688953 [0,2,0,0,0,0|1,0,1]=4 8659 B16R1.1438 C=CCCNC(COC)Cc1ccccc1 2230a_100000766165_100000754431 [0,2,0,0,0,0|1,0,1]=4 8660 B16R1.1438 CCCCNC(COC)Cc1ccccc1 2230a_100000766165_100000210211 [0,2,0,0,0,0|1,0,0]=3 8661 B16R1.1438 COCC(Cc1ccccc1)NCCC#N 2230a_100000766165_100011215226 [0,2,0,0,0,0|1,0,1]=4 8662 B16R1.1438 COCC(Cc1ccccc1)NCCCF 2230a_100000766165_100011934791 [0,2,0,0,0,0|0,1,0]=3 8663 B16R1.1438 COCC(Cc1ccccc1)NCCCO 2230a_100000766165_100000230001 [0,2,0,0,0,0|1,0,0]=3 8664 B16R1.1438 COCC(Cc1ccccc1)NCCSC 2230a_100000766165_100000751147 [0,2,0,0,0,0|2,0,0]=4 8665 B16R1.1438 COCCNC(COC)Cc1ccccc1 2230a_100000766165_100011201679 [0,2,0,0,0,0|2,0,0]=4 8666 B16R1.1759 C=CCCNC(Cc1ccccc1)C(C)C 270004a_100015191253_200000703227 [0,2,0,0,0,0|1,0,1]=4 8667 B16R1.1759 CC(C)C(Cc1ccccc1)NCCC#N 270004a_100000720768_200000703227 [0,2,0,0,0,0|1,0,1]=4 8668 B16R1.1759 CC(C)C(Cc1ccccc1)NCCCF 270004a_100015189416_200000703227 [0,2,0,0,0,0|0,1,0]=3 8669 B16R1.1759 CC(C)C(Cc1ccccc1)NCCCO 270004a_100000182051_200000703227 [0,2,0,0,0,0|1,0,0]=3 8670 B16R1.1759 CCCCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210211 [0,2,0,0,0,0|1,0,1]=4 8671 B16R1.1759 CCCCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210210 [0,2,0,0,0,0|1,0,1]=4 8672 B16R1.1759 CCCCNC(Cc1ccccc1)C(C)C 270004a_100000102301_200000703227 [0,2,0,0,0,0|1,0,0]=3 8673 B16R1.1759 COCCNC(Cc1ccccc1)C(C)C 270004a_100000209980_200000703227 [0,2,0,0,0,0|2,0,0]=4 8674 B16R1.1759 CSCCNC(Cc1ccccc1)C(C)C 270004a_100020590264_200000703227 [0,2,0,0,0,0|2,0,0]=4 8675 B16R1.1759 NC(=O)C(Cc1ccccc1)NCCCF 2230a_100000745710_100011934791 [0,2,0,0,0,0|0,1,1]=4 8676 B16R1.1759 NC(=O)C(Cc1ccccc1)NCCCF 34a_100000745710_100011934791 [0,2,0,0,0,0|0,1,1]=4 8677 B16R1.1759 NC(=O)C(Cc1ccccc1)NCCCO 2230a_100000745710_100000230001 [0,2,0,0,0,0|1,0,1]=4 8678 B16R1.1759 NC(=O)C(Cc1ccccc1)NCCCO 34a_100000745710_100000230001 [0,2,0,0,0,0|1,0,1]=4 8679 B16R1.3379 C=C(C)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000730704 [0,2,0,0,0,0|1,0,1]=4 8680 B16R1.3379 CC(C)CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210312 [0,2,0,0,0,0|1,0,1]=4 8681 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210312 [0,2,0,0,0,0|1,0,0]=3 8682 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 269862a_100000739027_100000185833 [0,2,0,0,0,0|1,0,0]=3 8683 B16R1.3379 CC(C)CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210312 [0,2,0,0,0,0|2,0,0]=4 8684 B16R1.3379 CC(C)CCNC(CO)Cc1cccnc1 269862a_100000717814_100000185833 [0,2,0,0,0,0|2,0,0]=4 8685 B16R1.3379 CC(C)CCNC(CO)Cc1ccncc1 2230a_100000717866_100000210312 [0,2,0,0,0,0|2,0,0]=4 8686 B16R1.3379 CC(C)CCNC(CO)Cc1ccncc1 269862a_100000717866_100000185833 [0,2,0,0,0,0|2,0,0]=4 8687 B16R1.3379 CC(C)CCOC(CN)Cc1ccccc1 34a_100000752270_100000210312 [0,2,0,0,0,0|2,0,0]=4 8688 B16R1.3379 CC(C)CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210626 [0,2,0,0,0,0|2,0,0]=4 8689 B16R1.3379 CC(C)OCNC(CO)Cc1ccccc1 2230a_100000739027_100000709892 [0,2,0,0,0,0|2,0,0]=4 8690 B16R1.3379 CC(O)CCNC(C#N)Cc1ccccc1 2230a_100000746547_100012276601 [0,2,0,0,0,0|1,0,1]=4 8691 B16R1.3379 CC(O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100012276601 [0,2,0,0,0,0|1,0,0]=3 8692 B16R1.3379 CC(O)CCNC(CO)Cc1cccnc1 2230a_100000717814_100012276601 [0,2,0,0,0,0|2,0,0]=4 8693 B16R1.3379 CC(O)CCNC(CO)Cc1ccncc1 2230a_100000717866_100012276601 [0,2,0,0,0,0|2,0,0]=4 8694 B16R1.3379 CC(O)CCOC(CN)Cc1ccccc1 34a_100000752270_100012276601 [0,2,0,0,0,0|2,0,0]=4 8695 B16R1.3379 CC(O)CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100012276601 [0,2,0,0,0,0|2,0,0]=4 8696 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)C 270004a_100000210545_100000212045 [0,2,0,0,0,0|1,0,0]=3 8697 B16R1.3379 CCC(Cc1ccccc1)NCCC(C)O 270004a_200000755665_100000212045 [0,2,0,0,0,0|1,0,0]=3 8698 B16R1.3379 CCC(Cc1ccccc1)NCCN(C)C 270004a_100000210585_100000212045 [0,2,0,0,0,0|2,0,0]=4 8699 B16R1.3379 CCC(Cc1ccccc1)OCCC(C)C 7a_100000760156_100000210626 [0,2,0,0,0,0|2,0,0]=4 8700 B16R1.3379 CCC(Cc1ccccc1)OCCC(C)O 7a_100000760156_100012276601 [0,2,0,0,0,0|2,0,0]=4 8701 B16R1.3379 NC(=O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000744528 [0,2,0,0,0,0|1,0,1]=4 8702 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000688953 [0,2,0,0,0,0|1,0,1]=4 8703 B16R1.3677 C#CCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000688953 [0,2,0,0,0,0|1,0,1]=4 8704 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000754431 [0,2,0,0,0,0|1,0,1]=4 8705 B16R1.3677 C=CCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000754431 [0,2,0,0,0,0|1,0,1]=4 8706 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000210211 [0,2,0,0,0,0|1,0,0]=3 8707 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000210210 [0,2,0,0,0,0|1,0,0]=3 8708 B16R1.3677 COCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100011201679 [0,2,0,0,0,0|2,0,0]=4 8709 B16R1.3677 COCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100011201679 [0,2,0,0,0,0|2,0,0]=4 8710 B16R1.3677 CSCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000751147 [0,2,0,0,0,0|2,0,0]=4 8711 B16R1.3677 CSCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000212216 [0,2,0,0,0,0|2,0,0]=4 8712 B16R1.3677 N#CCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100011215226 [0,2,0,0,0,0|1,0,1]=4 8713 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCF 2230a_100012001541_100011934791 [0,2,0,0,0,0|0,1,0]=3 8714 B16R1.3677 OCC(Cc1ccccc1Cl)NCCCF 34a_100012001541_100011934791 [0,2,0,0,0,0|0,1,0]=3 8715 B16R1.3677 OCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000230001 [0,2,0,0,0,0|1,0,0]=3 8716 B16R1.3677 OCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000230001 [0,2,0,0,0,0|1,0,0]=3 8717 B16R1.20514 CCC(C)(Cc1ccccc1)OCCCF 7a_100011346069_100011934791 [0,2,0,0,0,0|1,1,0]=4 8718 B16R1.20514 CCC(C)(Cc1ccccc1)OCCCO 7a_100011346069_100011215043 [0,2,0,0,0,0|2,0,0]=4 8719 B16R1.20514 CCCCOC(C)(CC)Cc1ccccc1 7a_100011346069_100000210211 [0,2,0,0,0,0|2,0,0]=4 8720 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1Br 270004a_100000210545_100011350739 [0,2,0,0,0,0|1,0,0]=3 8721 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1Cl 270004a_100000210545_100000758791 [0,2,0,0,0,0|1,0,0]=3 8722 B16R1.7414 CC(C)CCNC(C)Cc1ccccc1F 270004a_100000210545_100000709178 [0,2,0,0,0,0|1,0,0]=3 8723 B16R1.7414 CC(Cc1ccccc1Br)NCCN(C)C 270004a_100000210585_100011350739 [0,2,0,0,0,0|2,0,0]=4 8724 B16R1.7414 CC(Cc1ccccc1Cl)NCCN(C)C 270004a_100000210585_100000758791 [0,2,0,0,0,0|2,0,0]=4 8725 B16R1.7414 CC(Cc1ccccc1F)NCCN(C)C 270004a_100000210585_100000709178 [0,2,0,0,0,0|2,0,0]=4 8726 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1Br 270004a_200000755665_100011350739 [0,2,0,0,0,0|1,0,0]=3 8727 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1Cl 270004a_200000755665_100000758791 [0,2,0,0,0,0|1,0,0]=3 8728 B16R1.7414 CC(O)CCNC(C)Cc1ccccc1F 270004a_200000755665_100000709178 [0,2,0,0,0,0|1,0,0]=3 8729 B16R1.7414 Cc1ccccc1CC(C)NCCC(C)C 270004a_100000210545_200000764500 [0,2,0,0,0,0|1,0,0]=3 8730 B16R1.7414 Cc1ccccc1CC(C)NCCC(C)O 270004a_200000755665_200000764500 [0,2,0,0,0,0|1,0,0]=3 8731 B16R1.7414 Cc1ccccc1CC(C)NCCN(C)C 270004a_100000210585_200000764500 [0,2,0,0,0,0|2,0,0]=4 8732 B16R1.7414 Cc1cccnc1CC(C)NCCC(C)C 270004a_100000210545_100011823981 [0,2,0,0,0,0|2,0,0]=4 8733 B16R1.7414 Cc1cccnc1CC(C)NCCC(C)O 270004a_200000755665_100011823981 [0,2,0,0,0,0|2,0,0]=4 8734 B16R1.12285 CC(C)CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210626 [0,2,0,0,0,0|2,0,0]=4 8735 B16R1.12285 CC(O)CCOC(C)(C)Cc1ccccc1 7a_100011215222_100012276601 [0,2,0,0,0,0|2,0,0]=4 8736 B16R1.59031 CC(C[n+]1ccccc1)NCCC(C)(C)C 270004a_100000738805_100000034229 [0,2,0,0,0,0|2,0,0]=4 8737 B16R1.59031 CC(C[n+]1ccccc1)NCCC(C)(C)F 270004a_100016253952_100000034229 [0,2,0,0,0,0|1,1,0]=4 8738 B16R1.59031 CC(C[n+]1ccccc1)NCCC(C)(C)O 270004a_100000707701_100000034229 [0,2,0,0,0,0|2,0,0]=4 8739 B16R1.59031 CC(C[n+]1ccccc1)NCCC(F)(F)F 270004a_100000740434_100000034229 [0,2,0,0,0,0|1,1,0]=4 8740 B16R1.59031 CC(Cc1ccccc1)NCCC(F)(F)F 34a_100000740434_200011218536 [0,2,0,0,0,0|0,1,0]=3 8741 B16R1.59031 CC(Cc1ccccc1)NCCS(=O)(=O)C 34a_100000740961_200011218536 [0,2,0,0,0,0|2,0,0]=4 8742 B16R1.59031 CC(Cc1ccccc1)NCCS(=O)(=O)N 34a_100000738205_200011218536 [0,2,0,0,0,0|2,0,0]=4 8743 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 34a_100000748627_100000755188 [0,2,0,0,0,0|2,0,0]=4 8744 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 7a_100000748627_100000755188 [0,2,0,0,0,0|2,0,0]=4 8745 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 7a_100000765024_200011218536 [0,2,0,0,0,0|2,0,0]=4 8746 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)O 34a_100000748627_100000702414 [0,2,0,0,0,0|2,0,0]=4 8747 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)O 7a_100000748627_100000702414 [0,2,0,0,0,0|2,0,0]=4 8748 B16R1.59031 CC(Cc1ccccc1)OCCC(F)(F)F 34a_100000748627_100011219754 [0,2,0,0,0,0|1,1,0]=4 8749 B16R1.59031 CC(Cc1ccccc1)OCCC(F)(F)F 34a_100000752437_200011218536 [0,2,0,0,0,0|1,1,0]=4 8750 B16R1.59031 CC(Cc1ccccc1)OCCC(F)(F)F 7a_100000748627_100011219754 [0,2,0,0,0,0|1,1,0]=4 8751 B16R1.59031 CC(Cc1ccccc1)SCCC(C)(C)C 62a_100000755188_200011218536 [0,2,0,0,0,0|2,0,0]=4 8752 B16R1.59031 CC(Cc1ccccc1)SCCC(C)(C)C 62a_200011218536_100000755188 [0,2,0,0,0,0|2,0,0]=4 8753 B16R1.59031 CC(Cc1ccccc1)SCCC(C)(C)O 62a_100000702414_200011218536 [0,2,0,0,0,0|2,0,0]=4 8754 B16R1.59031 CC(Cc1ccccc1)SCCC(C)(C)O 62a_200011218536_100000702414 [0,2,0,0,0,0|2,0,0]=4 8755 B16R1.59031 CC(Cc1ccccc1)SCCC(F)(F)F 62a_100011219754_200011218536 [0,2,0,0,0,0|1,1,0]=4 8756 B16R1.59031 CC(Cc1ccccc1)SCCC(F)(F)F 62a_200011218536_100011219754 [0,2,0,0,0,0|1,1,0]=4 8757 B16R1.59031 CC(Cc1ccccn1)NCCC(C)(C)C 2230a_100000238496_100000755188 [0,2,0,0,0,0|2,0,0]=4 8758 B16R1.59031 CC(Cc1ccccn1)NCCC(C)(C)O 2230a_100000238496_100000702414 [0,2,0,0,0,0|2,0,0]=4 8759 B16R1.59031 CC(Cc1cccnc1)NCCC(C)(C)C 2230a_100011207255_100000755188 [0,2,0,0,0,0|2,0,0]=4 8760 B16R1.59031 CC(Cc1cccnc1)NCCC(C)(C)C 270004a_100000738805_100015187140 [0,2,0,0,0,0|2,0,0]=4 8761 B16R1.59031 CC(Cc1cccnc1)NCCC(C)(C)F 270004a_100016253952_100015187140 [0,2,0,0,0,0|1,1,0]=4 8762 B16R1.59031 CC(Cc1cccnc1)NCCC(C)(C)O 2230a_100011207255_100000702414 [0,2,0,0,0,0|2,0,0]=4 8763 B16R1.59031 CC(Cc1cccnc1)NCCC(C)(C)O 270004a_100000707701_100015187140 [0,2,0,0,0,0|2,0,0]=4 8764 B16R1.59031 CC(Cc1cccnc1)NCCC(F)(F)F 270004a_100000740434_100015187140 [0,2,0,0,0,0|1,1,0]=4 8765 B16R1.59031 CC(Cc1ccncc1)NCCC(C)(C)C 270004a_100000738805_100000238508 [0,2,0,0,0,0|2,0,0]=4 8766 B16R1.59031 CC(Cc1ccncc1)NCCC(C)(C)F 270004a_100016253952_100000238508 [0,2,0,0,0,0|1,1,0]=4 8767 B16R1.59031 CC(Cc1ccncc1)NCCC(C)(C)O 270004a_100000707701_100000238508 [0,2,0,0,0,0|2,0,0]=4 8768 B16R1.59031 CC(Cc1ccncc1)NCCC(F)(F)F 270004a_100000740434_100000238508 [0,2,0,0,0,0|1,1,0]=4 8769 B16R1.4818 C#CCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000688953 [0,2,0,0,0,0|1,0,1]=4 8770 B16R1.4818 C=CCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000754431 [0,2,0,0,0,0|1,0,1]=4 8771 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCC#N 2230a_100161000475_100011215226 [0,2,0,0,0,0|1,0,1]=4 8772 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCCF 2230a_100161000475_100011934791 [0,2,0,0,0,0|0,1,0]=3 8773 B16R1.4818 CC(C)(Cc1ccccc1Br)NCCCO 2230a_100161000475_100000230001 [0,2,0,0,0,0|1,0,0]=3 8774 B16R1.4818 CC(C)(Cc1ccccc1Cl)OCCCF 7a_100000751322_100011934791 [0,2,0,0,0,0|1,1,0]=4 8775 B16R1.4818 CC(C)(Cc1ccccc1Cl)OCCCO 7a_100000751322_100011215043 [0,2,0,0,0,0|2,0,0]=4 8776 B16R1.4818 CC(C)(Cc1ccccc1F)OCCCF 34a_100011350413_100011934791 [0,2,0,0,0,0|1,1,0]=4 8777 B16R1.4818 CC(C)(Cc1ccccc1F)OCCCF 7a_100011350413_100011934791 [0,2,0,0,0,0|1,1,0]=4 8778 B16R1.4818 CC(C)(Cc1ccccc1F)OCCCO 34a_100011350413_100000230001 [0,2,0,0,0,0|2,0,0]=4 8779 B16R1.4818 CC(C)(Cc1ccccc1F)OCCCO 7a_100011350413_100011215043 [0,2,0,0,0,0|2,0,0]=4 8780 B16R1.4818 CCCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000210211 [0,2,0,0,0,0|1,0,0]=3 8781 B16R1.4818 CCCCOC(C)(C)Cc1ccccc1Cl 7a_100000751322_100000210211 [0,2,0,0,0,0|2,0,0]=4 8782 B16R1.4818 CCCCOC(C)(C)Cc1ccccc1F 34a_100011350413_100000210210 [0,2,0,0,0,0|2,0,0]=4 8783 B16R1.4818 CCCCOC(C)(C)Cc1ccccc1F 7a_100011350413_100000210211 [0,2,0,0,0,0|2,0,0]=4 8784 B16R1.4818 COCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100011201679 [0,2,0,0,0,0|2,0,0]=4 8785 B16R1.4818 CSCCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000751147 [0,2,0,0,0,0|2,0,0]=4 8786 B16R1.7391 C=CCCNC(C)Cc1ccccc1OC 270004a_100015191253_100000211486 [0,2,0,0,0,0|1,0,1]=4 8787 B16R1.7391 CCCCNC(C)Cc1ccccc1OC 270004a_100000102301_100000211486 [0,2,0,0,0,0|1,0,0]=3 8788 B16R1.7391 CCCCOC(C)Cc1ccccc1OC 7a_100000691916_100000210211 [0,2,0,0,0,0|2,0,0]=4 8789 B16R1.7391 COCCNC(C)Cc1ccccc1OC 270004a_100000209980_100000211486 [0,2,0,0,0,0|2,0,0]=4 8790 B16R1.7391 COc1ccccc1CC(C)NCCC#N 270004a_100000720768_100000211486 [0,2,0,0,0,0|1,0,1]=4 8791 B16R1.7391 COc1ccccc1CC(C)NCCCF 270004a_100015189416_100000211486 [0,2,0,0,0,0|0,1,0]=3 8792 B16R1.7391 COc1ccccc1CC(C)NCCCO 270004a_100000182051_100000211486 [0,2,0,0,0,0|1,0,0]=3 8793 B16R1.7391 COc1ccccc1CC(C)NCCSC 270004a_100020590264_100000211486 [0,2,0,0,0,0|2,0,0]=4 8794 B16R1.7391 COc1ccccc1CC(C)OCCCF 7a_100000691916_100011934791 [0,2,0,0,0,0|1,1,0]=4 8795 B16R1.7391 COc1ccccc1CC(C)OCCCO 7a_100000691916_100011215043 [0,2,0,0,0,0|2,0,0]=4 8796 B16R1.22096 C=CCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100015191253_100000692661 [0,2,0,0,0,0|1,0,1]=4 8797 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCC#N 270004a_100000720768_100000692661 [0,2,0,0,0,0|1,0,1]=4 8798 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCCF 270004a_100015189416_100000692661 [0,2,0,0,0,0|0,1,0]=3 8799 B16R1.22096 CC(Cc1c(cccc1Cl)Cl)NCCCO 270004a_100000182051_100000692661 [0,2,0,0,0,0|1,0,0]=3 8800 B16R1.22096 CCCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100000102301_100000692661 [0,2,0,0,0,0|1,0,0]=3 8801 B16R1.22096 COCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100000209980_100000692661 [0,2,0,0,0,0|2,0,0]=4 8802 B16R1.22096 CSCCNC(C)Cc1c(cccc1Cl)Cl 270004a_100020590264_100000692661 [0,2,0,0,0,0|2,0,0]=4 8803 B14R1.137 C=CC=CC(=O)CC(C)N1CCCC1 1458a_100016291481_200015187269 [0,0,1,1,0,0|2,0,0]=4 8804 B14R2.3 CNCCN1CCc2c1cccc2 2230a_100000741946_200000210301 [1,0,0,1,0,0|2,0,0]=4 8805 B14R2.3 [13CH3]NCCN1CCc2c1cccc2 2230a_100000741946_200025704644 [1,0,0,1,0,0|2,0,0]=4 8806 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [1,0,0,1,0,0|1,0,0]=3 8807 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [1,0,0,1,0,0|1,0,0]=3 8808 B14R2.31 CC1CCN1CCc2ccccn2 269982a_100000755817_100015183660 [1,0,0,1,0,0|2,0,0]=4 8809 B14R2.31 CC1CCN1CCc2cccnc2 269982a_100000755817_200011713674 [1,0,0,1,0,0|2,0,0]=4 8810 B14R2.31 CC1CCN1CCc2ccncc2 269982a_100000755817_100000723409 [1,0,0,1,0,0|2,0,0]=4 8811 B14R2.31 CC1CCN1CSc2ccccc2 269982a_100000755817_100011218342 [1,0,0,1,0,0|2,0,0]=4 8812 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 2230a_100025746932_100000765856 [1,0,0,1,0,0|0,1,0]=3 8813 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 34a_100025746932_100000765856 [1,0,0,1,0,0|0,1,0]=3 8814 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccn2 2230a_100025746932_100015183660 [1,0,0,1,0,0|1,1,0]=4 8815 B14R2.49 F[C@@H]1C[C@H]1NCCc2cccnc2 2230a_100025746932_200011713674 [1,0,0,1,0,0|1,1,0]=4 8816 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccncc2 2230a_100025746932_100000723409 [1,0,0,1,0,0|1,1,0]=4 8817 B14R2.49 F[C@@H]1C[C@H]1NCSc2ccccc2 2230a_100025746932_100011218342 [1,0,0,1,0,0|1,1,0]=4 8818 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccc2 2230a_100015190264_100000765856 [1,0,0,1,0,0|0,1,0]=3 8819 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccn2 2230a_100015190264_100015183660 [1,0,0,1,0,0|1,1,0]=4 8820 B14R2.49 F[C@H]1C[C@H]1NCCc2cccnc2 2230a_100015190264_200011713674 [1,0,0,1,0,0|1,1,0]=4 8821 B14R2.49 F[C@H]1C[C@H]1NCCc2ccncc2 2230a_100015190264_100000723409 [1,0,0,1,0,0|1,1,0]=4 8822 B14R2.49 F[C@H]1C[C@H]1NCSc2ccccc2 2230a_100015190264_100011218342 [1,0,0,1,0,0|1,1,0]=4 8823 B14R2.101 c1cc(ccn1)CCN2CCCC2 2230a_100000188435_100000723409 [1,0,0,1,0,0|2,0,0]=4 8824 B14R2.101 c1cc(ccn1)CCN2CCCC2 269982a_100000188435_100000723409 [1,0,0,1,0,0|2,0,0]=4 8825 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [1,0,0,1,0,0|1,0,0]=3 8826 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [1,0,0,1,0,0|1,0,0]=3 8827 B14R2.101 c1ccc(cc1)CCN2CCSC2 2230a_100011215254_100000765856 [1,0,0,1,0,0|2,0,0]=4 8828 B14R2.101 c1ccc(cc1)CCN2CCSC2 269982a_100011215254_100000765856 [1,0,0,1,0,0|2,0,0]=4 8829 B14R2.101 c1ccc(cc1)SCN2CCCC2 2230a_100000188435_100011218342 [1,0,0,1,0,0|2,0,0]=4 8830 B14R2.101 c1ccc(cc1)SCN2CCCC2 269982a_100000188435_100011218342 [1,0,0,1,0,0|2,0,0]=4 8831 B14R2.101 c1ccc(nc1)CCN2CCCC2 2230a_100000188435_100015183660 [1,0,0,1,0,0|2,0,0]=4 8832 B14R2.101 c1ccc(nc1)CCN2CCCC2 269982a_100000188435_100015183660 [1,0,0,1,0,0|2,0,0]=4 8833 B14R2.101 c1cncc(c1)CCN2CCCC2 2230a_100000188435_200011713674 [1,0,0,1,0,0|2,0,0]=4 8834 B14R2.101 c1cncc(c1)CCN2CCCC2 269982a_100000188435_200011713674 [1,0,0,1,0,0|2,0,0]=4 8835 B14R2.3018 c1cc(ccn1)CCNCC2CC2 2230a_100000735609_100000723409 [1,0,0,1,0,0|2,0,0]=4 8836 B14R2.3018 c1cc(ccn1)CCNCC2CC2 269862a_100000742849_100000741477 [1,0,0,1,0,0|2,0,0]=4 8837 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000106460_100000742324 [1,0,0,1,0,0|1,0,0]=3 8838 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000735609_100000765856 [1,0,0,1,0,0|1,0,0]=3 8839 B14R2.3018 c1ccc(cc1)CCNCC2CC2 269862a_100000106460_100000741477 [1,0,0,1,0,0|1,0,0]=3 8840 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000106460_100000742324 [1,0,0,1,0,0|1,0,0]=3 8841 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000735609_100000765856 [1,0,0,1,0,0|1,0,0]=3 8842 B14R2.3018 c1ccc(cc1)CCNCC2CO2 2230a_100000106460_100011216344 [1,0,0,1,0,0|1,0,0]=3 8843 B14R2.3018 c1ccc(cc1)CCNCC2CO2 34a_100000106460_102125554688 [1,0,0,1,0,0|1,0,0]=3 8844 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000210268_100000742324 [1,0,0,1,0,0|2,0,0]=4 8845 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000211283_100000765856 [1,0,0,1,0,0|2,0,0]=4 8846 B14R2.3018 c1ccc(cc1)CCOCC2CC2 7a_100000210268_100000742324 [1,0,0,1,0,0|2,0,0]=4 8847 B14R2.3018 c1ccc(cc1)CCOCC2CO2 34a_100000210268_102125554688 [1,0,0,1,0,0|2,0,0]=4 8848 B14R2.3018 c1ccc(cc1)CCOCC2CO2 7a_100000210268_102125554688 [1,0,0,1,0,0|2,0,0]=4 8849 B14R2.3018 c1ccc(cc1)CCOCC2CS2 7a_100000210268_100000031435 [1,0,0,1,0,0|2,0,0]=4 8850 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 34a_100000757423_100000765856 [1,0,0,1,0,0|2,0,0]=4 8851 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 7a_100000210268_100000745022 [1,0,0,1,0,0|2,0,0]=4 8852 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000756562_100011218657 [1,0,0,1,0,0|2,0,0]=4 8853 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000765856_100000742324 [1,0,0,1,0,0|2,0,0]=4 8854 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_100000765856_102125554688 [1,0,0,1,0,0|2,0,0]=4 8855 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_102125554688_100011218657 [1,0,0,1,0,0|2,0,0]=4 8856 B14R2.3018 c1ccc(cc1)CCSCC2CS2 62a_100000031435_100011218657 [1,0,0,1,0,0|2,0,0]=4 8857 B14R2.3018 c1ccc(cc1)CCSCC2CS2 62a_100000765856_100000031435 [1,0,0,1,0,0|2,0,0]=4 8858 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000745022_100011218657 [1,0,0,1,0,0|2,0,0]=4 8859 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000765856_100000745022 [1,0,0,1,0,0|2,0,0]=4 8860 B14R2.3018 c1ccc(cc1)SCNCC2CC2 2230a_100000735609_100011218342 [1,0,0,1,0,0|2,0,0]=4 8861 B14R2.3018 c1ccc(nc1)CCNCC2CC2 2230a_100000735609_100015183660 [1,0,0,1,0,0|2,0,0]=4 8862 B14R2.3018 c1ccc(nc1)CCNCC2CC2 269862a_100000211156_100000741477 [1,0,0,1,0,0|2,0,0]=4 8863 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000735609_200011713674 [1,0,0,1,0,0|2,0,0]=4 8864 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000736294_100000742324 [1,0,0,1,0,0|2,0,0]=4 8865 B14R2.3018 c1cncc(c1)CCNCC2CC2 269862a_100000736294_100000741477 [1,0,0,1,0,0|2,0,0]=4 8866 B14R2.3018 c1cncc(c1)CCNCC2CO2 2230a_100000736294_100011216344 [1,0,0,1,0,0|2,0,0]=4 8867 B14R2.3019 c1cc(ccn1)CCNC2CCC2 2230a_100000749019_100000723409 [1,0,0,1,0,0|2,0,0]=4 8868 B14R2.3019 c1cc(ccn1)CCNC2CCC2 270004a_100000742849_100000241760 [1,0,0,1,0,0|2,0,0]=4 8869 B14R2.3019 c1ccc(cc1)CCNC2CCC2 2230a_100000749019_100000765856 [1,0,0,1,0,0|1,0,0]=3 8870 B14R2.3019 c1ccc(cc1)CCNC2CCC2 270004a_100000106460_100000241760 [1,0,0,1,0,0|1,0,0]=3 8871 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000106460_100000749161 [1,0,0,1,0,0|1,0,0]=3 8872 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000749019_100000765856 [1,0,0,1,0,0|1,0,0]=3 8873 B14R2.3019 c1ccc(cc1)CCNC2COC2 2230a_100016991112_100000765856 [1,0,0,1,0,0|2,0,0]=4 8874 B14R2.3019 c1ccc(cc1)CCNC2COC2 34a_100000106460_100009818527 [1,0,0,1,0,0|2,0,0]=4 8875 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000210268_100000749161 [1,0,0,1,0,0|2,0,0]=4 8876 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000748187_100000765856 [1,0,0,1,0,0|2,0,0]=4 8877 B14R2.3019 c1ccc(cc1)CCSC2CCC2 62a_100000765856_100000749161 [1,0,0,1,0,0|2,0,0]=4 8878 B14R2.3019 c1ccc(cc1)SCNC2CCC2 2230a_100000749019_100011218342 [1,0,0,1,0,0|2,0,0]=4 8879 B14R2.3019 c1ccc(nc1)CCNC2CCC2 2230a_100000749019_100015183660 [1,0,0,1,0,0|2,0,0]=4 8880 B14R2.3019 c1ccc(nc1)CCNC2CCC2 270004a_100000211156_100000241760 [1,0,0,1,0,0|2,0,0]=4 8881 B14R2.3019 c1cncc(c1)CCNC2CCC2 2230a_100000749019_200011713674 [1,0,0,1,0,0|2,0,0]=4 8882 B14R2.3019 c1cncc(c1)CCNC2CCC2 270004a_100000736294_100000241760 [1,0,0,1,0,0|2,0,0]=4 8883 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [1,0,0,1,0,0|1,0,0]=3 8884 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [1,0,0,1,0,0|2,0,0]=4 8885 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100000210211_100009813401 [1,0,0,1,0,0|2,0,0]=4 8886 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100009813401_100000210210 [1,0,0,1,0,0|2,0,0]=4 8887 B14R2.16538 FCCCSC1Cc2c1cccc2 62a_100009813401_100011934791 [1,0,0,1,0,0|1,1,0]=4 8888 B14R2.16538 FCCCSC1Cc2c1cccc2 62a_100011934791_100009813401 [1,0,0,1,0,0|1,1,0]=4 8889 B14R2.16538 OCCCSC1Cc2c1cccc2 62a_100009813401_100011215043 [1,0,0,1,0,0|2,0,0]=4 8890 B14R2.16538 OCCCSC1Cc2c1cccc2 62a_100011215043_100009813401 [1,0,0,1,0,0|2,0,0]=4 8891 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [1,0,0,1,0,0|2,0,0]=4 8892 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [1,0,0,1,0,0|2,0,0]=4 8893 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [1,0,0,1,0,0|2,0,0]=4 8894 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [1,0,0,1,0,0|2,0,0]=4 8895 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 2230a_100015203821_100015291786 [1,0,0,1,0,0|1,1,0]=4 8896 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 269982a_100015203821_100000211182 [1,0,0,1,0,0|1,1,0]=4 8897 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 270004a_100015203821_100015611070 [1,0,0,1,0,0|1,1,0]=4 8898 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 34a_100015203821_100015291786 [1,0,0,1,0,0|1,1,0]=4 8899 B14R2.19 OC1CCN(C1)Cc2ccccc2 2230a_100011215560_100015291786 [1,0,0,1,0,0|2,0,0]=4 8900 B14R2.19 OC1CCN(C1)Cc2ccccc2 269982a_100011215560_100000211182 [1,0,0,1,0,0|2,0,0]=4 8901 B14R2.19 OC1CCN(C1)Cc2ccccc2 270004a_100011215560_100015611070 [1,0,0,1,0,0|2,0,0]=4 8902 B14R2.67 BrCCOC1Cc2ccccc2C1 34a_100000211926_100000753484 [1,0,0,1,0,0|1,1,0]=4 8903 B14R2.67 C#CCNC1Cc2ccccc2C1 2230a_100000753258_100000038162 [1,0,0,1,0,0|0,0,2]=4 8904 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000212058_100000753484 [1,0,0,1,0,0|0,0,2]=4 8905 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000753258_100000184674 [1,0,0,1,0,0|0,0,2]=4 8906 B14R2.67 C=CCNC1Cc2ccccc2C1 2230a_100000753258_100000210623 [1,0,0,1,0,0|0,0,2]=4 8907 B14R2.67 C=CCNC1Cc2ccccc2C1 34a_100000753258_100015514636 [1,0,0,1,0,0|0,0,2]=4 8908 B14R2.67 CCCCN1Cc2ccccc2C1 2230a_100000752595_100000210211 [1,0,0,1,0,0|2,0,0]=4 8909 B14R2.67 CCCCN1Cc2ccccc2C1 269982a_100000752595_100000210211 [1,0,0,1,0,0|2,0,0]=4 8910 B14R2.67 CCCCN1Cc2ccccc2C1 34a_100000752595_100000210210 [1,0,0,1,0,0|2,0,0]=4 8911 B14R2.67 CCCNC1Cc2ccccc2C1 2230a_100000753258_100000210303 [1,0,0,1,0,0|0,0,0]=2 8912 B14R2.67 CCCNC1Cc2ccccc2C1 34a_100000753258_100000210303 [1,0,0,1,0,0|0,0,0]=2 8913 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100000210258_100000753484 [1,0,0,1,0,0|1,0,0]=3 8914 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100011215286_100000210303 [1,0,0,1,0,0|1,0,0]=3 8915 B14R2.67 CCCSC1Cc2ccccc2C1 62a_100000210303_100000753484 [1,0,0,1,0,0|1,0,0]=3 8916 B14R2.67 CCNCC1Cc2ccccc2C1 2230a_100000757167_100000210202 [1,0,0,1,0,0|2,0,0]=4 8917 B14R2.67 CCNCC1Cc2ccccc2C1 34a_100000757167_100000210202 [1,0,0,1,0,0|2,0,0]=4 8918 B14R2.67 CCOCC1Cc2ccccc2C1 34a_100000720471_100000210202 [1,0,0,1,0,0|2,0,0]=4 8919 B14R2.67 COCNC1Cc2ccccc2C1 2230a_100000753258_100000766300 [1,0,0,1,0,0|1,0,0]=3 8920 B14R2.67 COCSC1Cc2ccccc2C1 62a_100000766300_100000753484 [1,0,0,1,0,0|2,0,0]=4 8921 B14R2.67 CSCNC1Cc2ccccc2C1 2230a_100000753258_100011218213 [1,0,0,1,0,0|1,0,0]=3 8922 B14R2.67 CSCNC1Cc2ccccc2C1 34a_100000753258_100011218213 [1,0,0,1,0,0|1,0,0]=3 8923 B14R2.67 CSCOC1Cc2ccccc2C1 34a_100011215286_100011218213 [1,0,0,1,0,0|2,0,0]=4 8924 B14R2.67 CSCSC1Cc2ccccc2C1 62a_100011218213_100000753484 [1,0,0,1,0,0|2,0,0]=4 8925 B14R2.67 FCCCN1Cc2ccccc2C1 2230a_100000752595_100011934791 [1,0,0,1,0,0|1,1,0]=4 8926 B14R2.67 FCCCN1Cc2ccccc2C1 269982a_100000752595_100011934791 [1,0,0,1,0,0|1,1,0]=4 8927 B14R2.67 FCCCN1Cc2ccccc2C1 34a_100000752595_100011934791 [1,0,0,1,0,0|1,1,0]=4 8928 B14R2.67 FCCNC1Cc2ccccc2C1 2230a_100000753258_100011217306 [1,0,0,1,0,0|0,1,0]=3 8929 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000724931_100000753484 [1,0,0,1,0,0|0,1,0]=3 8930 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000753258_100011217306 [1,0,0,1,0,0|0,1,0]=3 8931 B14R2.67 FCCOC1Cc2ccccc2C1 34a_100011215286_100011217306 [1,0,0,1,0,0|1,1,0]=4 8932 B14R2.67 FCCSC1Cc2ccccc2C1 62a_100011217306_100000753484 [1,0,0,1,0,0|1,1,0]=4 8933 B14R2.67 FCNCC1Cc2ccccc2C1 34a_100000757167_100015361967 [1,0,0,1,0,0|1,1,0]=4 8934 B14R2.67 FCOCC1Cc2ccccc2C1 34a_100000720471_100015361967 [1,0,0,1,0,0|1,1,0]=4 8935 B14R2.67 N#CCNC1Cc2ccccc2C1 2230a_100000753258_100011215382 [1,0,0,1,0,0|1,0,1]=4 8936 B14R2.67 NCCOC1Cc2ccccc2C1 34a_100000210304_100000753484 [1,0,0,1,0,0|2,0,0]=4 8937 B14R2.67 O=CCNC1Cc2ccccc2C1 2230a_100000753258_200015260668 [1,0,0,1,0,0|1,0,1]=4 8938 B14R2.67 O=CCNC1Cc2ccccc2C1 34a_100000753258_200009817547 [1,0,0,1,0,0|1,0,1]=4 8939 B14R2.67 OCCCN1Cc2ccccc2C1 2230a_100000752595_100000230001 [1,0,0,1,0,0|2,0,0]=4 8940 B14R2.67 OCCCN1Cc2ccccc2C1 269982a_100000752595_100011215043 [1,0,0,1,0,0|2,0,0]=4 8941 B14R2.67 OCCCN1Cc2ccccc2C1 34a_100000752595_100000230001 [1,0,0,1,0,0|2,0,0]=4 8942 B14R2.67 OCCNC1Cc2ccccc2C1 2230a_100000753258_100000211926 [1,0,0,1,0,0|1,0,0]=3 8943 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100000753258_100000211926 [1,0,0,1,0,0|1,0,0]=3 8944 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100016990907_100000753484 [1,0,0,1,0,0|1,0,0]=3 8945 B14R2.67 OCCOC1Cc2ccccc2C1 34a_100011215286_100000211926 [1,0,0,1,0,0|2,0,0]=4 8946 B14R2.67 OCCSC1Cc2ccccc2C1 62a_100000211926_100000753484 [1,0,0,1,0,0|2,0,0]=4 8947 B14R2.90 CCC1CN(C1)Cc2ccccc2 2230a_100015205115_100015291786 [1,0,0,1,0,0|2,0,0]=4 8948 B14R2.90 CCC1CN(C1)Cc2ccccc2 269982a_100015205115_100000211182 [1,0,0,1,0,0|2,0,0]=4 8949 B14R2.90 CCC1CN(C1)Cc2ccccc2 270004a_100015205115_100015611070 [1,0,0,1,0,0|2,0,0]=4 8950 B14R2.90 FCC1CN(C1)Cc2ccccc2 269982a_100010363649_100000211182 [1,0,0,1,0,0|1,1,0]=4 8951 B14R2.90 FCC1CN(C1)Cc2ccccc2 34a_100010363649_100015291786 [1,0,0,1,0,0|1,1,0]=4 8952 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100000719477_100009874164 [1,0,0,1,0,0|2,0,0]=4 8953 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100009874164_100000041952 [1,0,0,1,0,0|2,0,0]=4 8954 B14R2.90 OCC1CN(C1)Cc2ccccc2 269982a_100016987283_100000211182 [1,0,0,1,0,0|2,0,0]=4 8955 B14R2.90 OCC1CN(C1)Cc2ccccc2 34a_100016987283_100015291786 [1,0,0,1,0,0|2,0,0]=4 8956 B14R2.9589 CC(Cc1ccccc1)N2CCC2 269982a_100000754969_200011218536 [1,0,0,1,0,0|0,0,0]=2 8957 B14R2.9589 CN(Cc1ccccc1)C2CCC2 2230a_100000758072_100015291786 [1,0,0,1,0,0|2,0,0]=4 8958 B14R2.9589 CN(Cc1ccccc1)C2CCC2 2230a_100025768344_200000210301 [1,0,0,1,0,0|2,0,0]=4 8959 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100000186898_100000749161 [1,0,0,1,0,0|2,0,0]=4 8960 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100000758072_100000211182 [1,0,0,1,0,0|2,0,0]=4 8961 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100025768344_200000210301 [1,0,0,1,0,0|2,0,0]=4 8962 B14R2.9589 CN(Cc1ccccc1)C2CCC2 270004a_100000186898_100000241760 [1,0,0,1,0,0|2,0,0]=4 8963 B14R2.9589 CN(Cc1ccccc1)C2CCC2 270004a_100000758072_100015611070 [1,0,0,1,0,0|2,0,0]=4 8964 B14R2.9589 CN(Cc1ccccc1)C2CCC2 34a_100000758072_100015291786 [1,0,0,1,0,0|2,0,0]=4 8965 B14R2.9589 CN(Cc1ccccc1)C2CCC2 34a_100025768344_200000210301 [1,0,0,1,0,0|2,0,0]=4 8966 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 2230a_100025768344_200025704644 [1,0,0,1,0,0|2,0,0]=4 8967 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 269982a_100025768344_200025704644 [1,0,0,1,0,0|2,0,0]=4 8968 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 34a_100025768344_200025704644 [1,0,0,1,0,0|2,0,0]=4 8969 B14R2.9593 CC(Cc1ccccc1)NC2CC2 34a_100000212008_200011218536 [1,0,0,1,0,0|0,0,0]=2 8970 B14R2.9593 CC(Cc1ccccc1)OC2CC2 34a_100000748627_100000211595 [1,0,0,1,0,0|1,0,0]=3 8971 B14R2.9593 CC(Cc1ccccc1)SC2CC2 62a_200011218536_100000211595 [1,0,0,1,0,0|1,0,0]=3 8972 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000186374_200000210301 [1,0,0,1,0,0|2,0,0]=4 8973 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000186898_100000742324 [1,0,0,1,0,0|2,0,0]=4 8974 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000741881_100015291786 [1,0,0,1,0,0|2,0,0]=4 8975 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000186374_200000210301 [1,0,0,1,0,0|2,0,0]=4 8976 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000186898_100000756562 [1,0,0,1,0,0|2,0,0]=4 8977 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000741881_100000211182 [1,0,0,1,0,0|2,0,0]=4 8978 B14R2.9593 CN(Cc1ccccc1)CC2CC2 270004a_100000741881_100015611070 [1,0,0,1,0,0|2,0,0]=4 8979 B14R2.9593 CN(Cc1ccccc1)CC2CC2 34a_100000186374_200000210301 [1,0,0,1,0,0|2,0,0]=4 8980 B14R2.9593 CN(Cc1ccccc1)CC2CO2 2230a_100000186898_100011216344 [1,0,0,1,0,0|2,0,0]=4 8981 B14R2.9593 CN(Cc1ccccc1)CC2CO2 269982a_100000186898_102125554688 [1,0,0,1,0,0|2,0,0]=4 8982 B14R2.9593 CN(Cc1ccccc1)CC2CS2 269982a_100000186898_100000031435 [1,0,0,1,0,0|2,0,0]=4 8983 B14R2.9593 CN(Cc1ccccc1)C[C@@H]2CO2 269982a_100000186898_100000745022 [1,0,0,1,0,0|2,0,0]=4 8984 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 2230a_100000186374_200025704644 [1,0,0,1,0,0|2,0,0]=4 8985 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 269982a_100000186374_200025704644 [1,0,0,1,0,0|2,0,0]=4 8986 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 34a_100000186374_200025704644 [1,0,0,1,0,0|2,0,0]=4 8987 B14R2.114 CC(c1ccccc1)N2CCCC2 2230a_100000188435_100000230085 [0,0,0,1,1,0|1,0,0]=3 8988 B14R2.114 CC(c1ccccc1)N2CCCC2 269982a_100000188435_100000230085 [0,0,0,1,1,0|1,0,0]=3 8989 B14R2.114 CC(c1ccccc1)N2CCSC2 2230a_100011215254_100000230085 [0,0,0,1,1,0|2,0,0]=4 8990 B14R2.114 CC(c1ccccc1)N2CCSC2 269982a_100011215254_100000230085 [0,0,0,1,1,0|2,0,0]=4 8991 B14R2.335 CC1CCN1C(C)c2ccccc2 269982a_100000755817_100000230085 [0,0,0,1,1,0|1,0,0]=3 8992 B14R2.335 CC1CCN1C(C)c2ccccc2 34a_100000755817_100000211855 [0,0,0,1,1,0|1,0,0]=3 8993 B14R2.352 CC(N[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000230085 [0,0,0,1,1,0|0,1,0]=3 8994 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000230085 [0,0,0,1,1,0|0,1,0]=3 8995 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000211855 [0,0,0,1,1,0|0,1,0]=3 8996 B14R2.792 CC(NCC1CC1)c2ccccc2 2230a_100000735609_100000230085 [0,0,0,1,1,0|1,0,0]=3 8997 B14R2.792 CC(NCC1CC1)c2ccccc2 34a_100000735609_100000211855 [0,0,0,1,1,0|1,0,0]=3 8998 B14R2.792 CC(NCC1CC1)c2ccccn2 2230a_100000181244_100000742324 [0,0,0,1,1,0|2,0,0]=4 8999 B14R2.792 CC(NCC1CC1)c2ccccn2 269862a_100000181244_100000741477 [0,0,0,1,1,0|2,0,0]=4 9000 B14R2.792 CC(NCC1CC1)c2cccnc2 2230a_100000195435_100000742324 [0,0,0,1,1,0|2,0,0]=4 9001 B14R2.792 CC(NCC1CC1)c2cccnc2 269862a_100000195435_100000741477 [0,0,0,1,1,0|2,0,0]=4 9002 B14R2.792 CC(NCC1CC1)c2ccncc2 2230a_100000181269_100000742324 [0,0,0,1,1,0|2,0,0]=4 9003 B14R2.792 CC(NCC1CC1)c2ccncc2 269862a_100000181269_100000741477 [0,0,0,1,1,0|2,0,0]=4 9004 B14R2.792 CC(NCC1CO1)c2ccccn2 2230a_100000181244_100011216344 [0,0,0,1,1,0|2,0,0]=4 9005 B14R2.792 CC(NCC1CO1)c2cccnc2 2230a_100000195435_100011216344 [0,0,0,1,1,0|2,0,0]=4 9006 B14R2.792 CC(NCC1CO1)c2ccncc2 2230a_100000181269_100011216344 [0,0,0,1,1,0|2,0,0]=4 9007 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [0,0,0,1,1,0|2,0,0]=4 9008 B14R2.792 CC(OC[C@@H]1CO1)c2ccccc2 34a_100000757423_100000211855 [0,0,0,1,1,0|2,0,0]=4 9009 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000230085_100000742324 [0,0,0,1,1,0|2,0,0]=4 9010 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000756562_100000230085 [0,0,0,1,1,0|2,0,0]=4 9011 B14R2.792 CC(SCC1CO1)c2ccccc2 62a_100000230085_102125554688 [0,0,0,1,1,0|2,0,0]=4 9012 B14R2.792 CC(SCC1CO1)c2ccccc2 62a_102125554688_100000230085 [0,0,0,1,1,0|2,0,0]=4 9013 B14R2.792 CC(SCC1CS1)c2ccccc2 62a_100000031435_100000230085 [0,0,0,1,1,0|2,0,0]=4 9014 B14R2.792 CC(SCC1CS1)c2ccccc2 62a_100000230085_100000031435 [0,0,0,1,1,0|2,0,0]=4 9015 B14R2.792 CC(SC[C@@H]1CO1)c2ccccc2 62a_100000230085_100000745022 [0,0,0,1,1,0|2,0,0]=4 9016 B14R2.792 CC(SC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000230085 [0,0,0,1,1,0|2,0,0]=4 9017 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 2230a_100000751104_100000742324 [0,0,0,1,1,0|1,0,0]=3 9018 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 269862a_100000751104_100000741477 [0,0,0,1,1,0|1,0,0]=3 9019 B14R2.792 C[C@@H](NCC1CO1)c2ccccc2 2230a_100000751104_100011216344 [0,0,0,1,1,0|1,0,0]=3 9020 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [0,0,0,1,1,0|2,0,0]=4 9021 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [0,0,0,1,1,0|2,0,0]=4 9022 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 34a_100000761318_102125554688 [0,0,0,1,1,0|2,0,0]=4 9023 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 7a_100000761318_102125554688 [0,0,0,1,1,0|2,0,0]=4 9024 B14R2.792 C[C@@H](OCC1CS1)c2ccccc2 7a_100000761318_100000031435 [0,0,0,1,1,0|2,0,0]=4 9025 B14R2.792 C[C@@H](OC[C@@H]1CO1)c2ccccc2 7a_100000761318_100000745022 [0,0,0,1,1,0|2,0,0]=4 9026 B14R2.794 CC(NC1CCC1)c2ccccc2 2230a_100000749019_100000230085 [0,0,0,1,1,0|1,0,0]=3 9027 B14R2.794 CC(NC1CCC1)c2ccccc2 269862a_100000749019_100000185851 [0,0,0,1,1,0|1,0,0]=3 9028 B14R2.794 CC(NC1CCC1)c2ccccc2 34a_100000749019_100000211855 [0,0,0,1,1,0|1,0,0]=3 9029 B14R2.794 CC(NC1CCC1)c2ccccn2 269862a_100000749019_100000210467 [0,0,0,1,1,0|2,0,0]=4 9030 B14R2.794 CC(NC1CCC1)c2ccccn2 270004a_100000181244_100000241760 [0,0,0,1,1,0|2,0,0]=4 9031 B14R2.794 CC(NC1CCC1)c2cccnc2 269862a_100000749019_100000210468 [0,0,0,1,1,0|2,0,0]=4 9032 B14R2.794 CC(NC1CCC1)c2cccnc2 270004a_100000195435_100000241760 [0,0,0,1,1,0|2,0,0]=4 9033 B14R2.794 CC(NC1CCC1)c2ccncc2 269862a_100000749019_100000185792 [0,0,0,1,1,0|2,0,0]=4 9034 B14R2.794 CC(NC1CCC1)c2ccncc2 270004a_100000181269_100000241760 [0,0,0,1,1,0|2,0,0]=4 9035 B14R2.794 CC(NC1COC1)c2ccccc2 2230a_100016991112_100000230085 [0,0,0,1,1,0|2,0,0]=4 9036 B14R2.794 CC(NC1COC1)c2ccccc2 269862a_100016991112_100000185851 [0,0,0,1,1,0|2,0,0]=4 9037 B14R2.794 CC(NC1CSC1)c2ccccc2 269862a_100016994217_100000185851 [0,0,0,1,1,0|2,0,0]=4 9038 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,0,0,1,1,0|2,0,0]=4 9039 B14R2.794 CC(SC1CCC1)c2ccccc2 62a_100000230085_100000749161 [0,0,0,1,1,0|2,0,0]=4 9040 B14R2.794 C[C@@H](NC1CCC1)c2ccccc2 270004a_100000751104_100000241760 [0,0,0,1,1,0|1,0,0]=3 9041 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,0,0,1,1,0|2,0,0]=4 9042 B14R2.793 CC(Cc1ccco1)N2CCCC2 270004a_100000188435_100011216958 [0,0,0,1,1,0|2,0,0]=4 9043 B14R2.9599 CC(Cc1ccco1)NCC2CC2 270004a_100000735609_100011216958 [0,0,0,1,1,0|2,0,0]=4 9044 B14R2.9599 CC(Cc1cccs1)NCC2CC2 2230a_100000751415_100000742324 [0,0,0,1,1,0|2,0,0]=4 9045 B14R2.9599 CC(Cc1cccs1)NCC2CC2 269862a_100000751415_100000741477 [0,0,0,1,1,0|2,0,0]=4 9046 B14R2.9599 CC(Cc1cccs1)NCC2CO2 2230a_100000751415_100011216344 [0,0,0,1,1,0|2,0,0]=4 9047 B14R2.9599 CC(Cc1ccsc1)NCC2CC2 2230a_100000743546_100000742324 [0,0,0,1,1,0|2,0,0]=4 9048 B14R2.9599 CC(Cc1ccsc1)NCC2CC2 269862a_100000743546_100000741477 [0,0,0,1,1,0|2,0,0]=4 9049 B14R2.9599 CC(Cc1ccsc1)NCC2CC2 34a_100000743546_100000742324 [0,0,0,1,1,0|2,0,0]=4 9050 B14R2.9599 CC(Cc1ccsc1)NCC2CO2 2230a_100000743546_100011216344 [0,0,0,1,1,0|2,0,0]=4 9051 B14R2.9599 CC(Cc1ccsc1)NCC2CO2 34a_100000743546_102125554688 [0,0,0,1,1,0|2,0,0]=4 9052 B14R2.31918 CC(Cc1cccs1)NC2CCC2 270004a_100000751415_100000241760 [0,0,0,1,1,0|2,0,0]=4 9053 B14R2.31918 CC(Cc1ccsc1)NC2CCC2 270004a_100000743546_100000241760 [0,0,0,1,1,0|2,0,0]=4 9054 B14R2.31918 CC(Cc1ccsc1)NC2CCC2 34a_100000743546_100000749161 [0,0,0,1,1,0|2,0,0]=4 9055 B16R2.252 CC1CCCC(C1)NCc2ccccc2 207a_100011194320_100015611070 [0,0,0,1,0,1|2,0,0]=4 9056 B16R2.252 CC1CCCC(C1)NCc2ccccc2 2230a_100011194320_100015291786 [0,0,0,1,0,1|2,0,0]=4 9057 B16R2.252 CC1CCCC(C1)NCc2ccccc2 270004a_100011194320_100015611070 [0,0,0,1,0,1|2,0,0]=4 9058 B16R2.252 CC1CCCC(C1)NCc2ccccc2 270004a_100015324214_100000183594 [0,0,0,1,0,1|2,0,0]=4 9059 B16R2.252 CC1CCCC(C1)NCc2ccccc2 34a_100011194320_100015291786 [0,0,0,1,0,1|2,0,0]=4 9060 B16R2.252 CC1CCCC(C1)OCc2ccccc2 34a_100000211399_100015291786 [0,0,0,1,0,1|2,0,0]=4 9061 B16R2.252 OC1CCCC(C1)NCc2ccccc2 207a_100015190357_100015611070 [0,0,0,1,0,1|2,0,0]=4 9062 B16R2.252 OC1CCCC(C1)NCc2ccccc2 2230a_100015190357_100015291786 [0,0,0,1,0,1|2,0,0]=4 9063 B16R2.252 OC1CCCC(C1)NCc2ccccc2 270004a_100015190357_100015611070 [0,0,0,1,0,1|2,0,0]=4 9064 B16R2.252 OC1CCCC(C1)NCc2ccccc2 270004a_100015324214_100012613340 [0,0,0,1,0,1|2,0,0]=4 9065 B16R2.2238 CC(CCc1ccccc1)N2CCCC2 270004a_100000188435_100000210092 [0,0,0,1,0,1|1,0,0]=3 9066 B16R2.2238 CC(CCc1ccccc1)N2CCSC2 270004a_100011215254_100000210092 [0,0,0,1,0,1|2,0,0]=4 9067 B16R2.2238 CC(COc1ccccc1)N2CCCC2 270004a_100000188435_100000150576 [0,0,0,1,0,1|1,0,0]=3 9068 B16R2.2238 CC(COc1ccccc1)N2CCCC2 7a_100000210340_200015187269 [0,0,0,1,0,1|1,0,0]=3 9069 B16R2.2238 CC(COc1ccccc1)N2CCSC2 270004a_100011215254_100000150576 [0,0,0,1,0,1|2,0,0]=4 9070 B16R2.2238 CC(COc1cccnc1)N2CCCC2 7a_100000210849_200015187269 [0,0,0,1,0,1|2,0,0]=4 9071 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 270004a_100000188435_100000150717 [0,0,0,1,0,1|1,0,0]=3 9072 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_100000719477_200015187269 [0,0,0,1,0,1|1,0,0]=3 9073 B16R2.2238 CC(CSc1ccccc1)N2CCCC2 62a_200015187269_100000041952 [0,0,0,1,0,1|1,0,0]=3 9074 B16R2.2238 CC(CSc1ccccc1)N2CCSC2 270004a_100011215254_100000150717 [0,0,0,1,0,1|2,0,0]=4 9075 B16R2.2238 CC(CSc1ccccn1)N2CCCC2 62a_100011216584_200015187269 [0,0,0,1,0,1|2,0,0]=4 9076 B16R2.2238 CC(CSc1ccccn1)N2CCCC2 62a_200015187269_100011216584 [0,0,0,1,0,1|2,0,0]=4 9077 B16R2.2238 CC(CSc1cccnc1)N2CCCC2 62a_100000210063_200015187269 [0,0,0,1,0,1|2,0,0]=4 9078 B16R2.2238 CC(CSc1cccnc1)N2CCCC2 62a_200015187269_100000210063 [0,0,0,1,0,1|2,0,0]=4 9079 B16R2.2238 CC(CSc1ccncc1)N2CCCC2 62a_100000728582_200015187269 [0,0,0,1,0,1|2,0,0]=4 9080 B16R2.2238 CC(CSc1ccncc1)N2CCCC2 62a_200015187269_100000728582 [0,0,0,1,0,1|2,0,0]=4 9081 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 207a_100015185923_100015611070 [0,0,0,1,0,1|2,0,0]=4 9082 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 2230a_100015185923_100015291786 [0,0,0,1,0,1|2,0,0]=4 9083 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 269862a_100015324214_100000749594 [0,0,0,1,0,1|2,0,0]=4 9084 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 270004a_100015185923_100015611070 [0,0,0,1,0,1|2,0,0]=4 9085 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 270004a_100015324214_100000749594 [0,0,0,1,0,1|2,0,0]=4 9086 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 34a_100015185923_100015291786 [0,0,0,1,0,1|2,0,0]=4 9087 B16R2.2238 CC(NCc1ccccc1)C2CCCO2 207a_100025754208_100015611070 [0,0,0,1,0,1|2,0,0]=4 9088 B16R2.2238 CC(NCc1ccccc1)C2CCCO2 2230a_100025754208_100015291786 [0,0,0,1,0,1|2,0,0]=4 9089 B16R2.2238 CC(NCc1ccccc1)C2CCCO2 270004a_100025754208_100015611070 [0,0,0,1,0,1|2,0,0]=4 9090 B16R2.2238 CC(NCc1ccccc1)C2CCCO2 34a_100025754208_100015291786 [0,0,0,1,0,1|2,0,0]=4 9091 B16R2.2238 CC(OCc1ccccc1)C2CCCC2 34a_100011216366_100015291786 [0,0,0,1,0,1|2,0,0]=4 9092 B16R2.2238 CC(OCc1ccccc1)C2CCCC2 7a_100011216366_100000211182 [0,0,0,1,0,1|2,0,0]=4 9093 B16R2.2270 C#CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000688953 [0,0,0,1,0,1|1,0,1]=4 9094 B16R2.2270 C=CCCNC1CC(C1)c2ccccc2 270004a_100015191253_100000741317 [0,0,0,1,0,1|1,0,1]=4 9095 B16R2.2270 C=CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000754431 [0,0,0,1,0,1|1,0,1]=4 9096 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 270004a_100000102301_100000741317 [0,0,0,1,0,1|1,0,0]=3 9097 B16R2.2270 CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210211 [0,0,0,1,0,1|1,0,0]=3 9098 B16R2.2270 COCCNC1CC(C1)c2ccccc2 270004a_100000209980_100000741317 [0,0,0,1,0,1|2,0,0]=4 9099 B16R2.2270 COCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011201679 [0,0,0,1,0,1|2,0,0]=4 9100 B16R2.2270 CSCCNC1CC(C1)c2ccccc2 270004a_100020590264_100000741317 [0,0,0,1,0,1|2,0,0]=4 9101 B16R2.2270 CSCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000751147 [0,0,0,1,0,1|2,0,0]=4 9102 B16R2.2270 FCCCNC1CC(C1)c2ccccc2 270004a_100015189416_100000741317 [0,0,0,1,0,1|0,1,0]=3 9103 B16R2.2270 FCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011934791 [0,0,0,1,0,1|0,1,0]=3 9104 B16R2.2270 N#CCCNC1CC(C1)c2ccccc2 270004a_100000720768_100000741317 [0,0,0,1,0,1|1,0,1]=4 9105 B16R2.2270 N#CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011215226 [0,0,0,1,0,1|1,0,1]=4 9106 B16R2.2270 OCCCNC1CC(C1)c2ccccc2 270004a_100000182051_100000741317 [0,0,0,1,0,1|1,0,0]=3 9107 B16R2.2270 OCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000230001 [0,0,0,1,0,1|1,0,0]=3 9108 B16R2.2334 CCC1CCC(C1)NCc2ccccc2 270004a_100015324214_100011218773 [0,0,0,1,0,1|2,0,0]=4 9109 B16R2.2441 C#CCCNC1CCc2ccccc2C1 2230a_100000748446_100000688953 [0,0,0,1,0,1|1,0,1]=4 9110 B16R2.2441 C#CCCNC1CCc2ccccc2C1 34a_100000748446_100000688953 [0,0,0,1,0,1|1,0,1]=4 9111 B16R2.2441 C#CCCNC1COc2ccccc2C1 2230a_100000739546_100000688953 [0,0,0,1,0,1|1,0,1]=4 9112 B16R2.2441 C=CCCNC1CCc2ccccc2C1 2230a_100000748446_100000754431 [0,0,0,1,0,1|1,0,1]=4 9113 B16R2.2441 C=CCCNC1CCc2ccccc2C1 270004a_100015191253_100000212018 [0,0,0,1,0,1|1,0,1]=4 9114 B16R2.2441 C=CCCNC1CCc2ccccc2C1 34a_100000748446_100000754431 [0,0,0,1,0,1|1,0,1]=4 9115 B16R2.2441 C=CCCNC1COc2ccccc2C1 2230a_100000739546_100000754431 [0,0,0,1,0,1|1,0,1]=4 9116 B16R2.2441 C=CCCNC1COc2ccccc2C1 270004a_100015191253_100000048293 [0,0,0,1,0,1|1,0,1]=4 9117 B16R2.2441 CCCCNC1CCc2ccccc2C1 2230a_100000748446_100000210211 [0,0,0,1,0,1|1,0,0]=3 9118 B16R2.2441 CCCCNC1CCc2ccccc2C1 270004a_100000102301_100000212018 [0,0,0,1,0,1|1,0,0]=3 9119 B16R2.2441 CCCCNC1CCc2ccccc2C1 34a_100000748446_100000210210 [0,0,0,1,0,1|1,0,0]=3 9120 B16R2.2441 CCCCNC1COc2ccccc2C1 2230a_100000739546_100000210211 [0,0,0,1,0,1|1,0,0]=3 9121 B16R2.2441 CCCCNC1COc2ccccc2C1 270004a_100000102301_100000048293 [0,0,0,1,0,1|1,0,0]=3 9122 B16R2.2441 CCCCOC1CCc2ccccc2C1 34a_100011216300_100000210210 [0,0,0,1,0,1|2,0,0]=4 9123 B16R2.2441 CCCCOC1CCc2ccccc2C1 7a_100011216300_100000210211 [0,0,0,1,0,1|2,0,0]=4 9124 B16R2.2441 CCCCOC1Cc2ccccc2CO1 34a_200000095866_100000210210 [0,0,0,1,0,1|2,0,0]=4 9125 B16R2.2441 COCCNC1CCc2ccccc2C1 2230a_100000748446_100011201679 [0,0,0,1,0,1|2,0,0]=4 9126 B16R2.2441 COCCNC1CCc2ccccc2C1 270004a_100000209980_100000212018 [0,0,0,1,0,1|2,0,0]=4 9127 B16R2.2441 COCCNC1CCc2ccccc2C1 34a_100000748446_100011201679 [0,0,0,1,0,1|2,0,0]=4 9128 B16R2.2441 COCCNC1COc2ccccc2C1 2230a_100000739546_100011201679 [0,0,0,1,0,1|2,0,0]=4 9129 B16R2.2441 COCCNC1COc2ccccc2C1 270004a_100000209980_100000048293 [0,0,0,1,0,1|2,0,0]=4 9130 B16R2.2441 CSCCNC1CCc2ccccc2C1 2230a_100000748446_100000751147 [0,0,0,1,0,1|2,0,0]=4 9131 B16R2.2441 CSCCNC1CCc2ccccc2C1 270004a_100020590264_100000212018 [0,0,0,1,0,1|2,0,0]=4 9132 B16R2.2441 CSCCNC1CCc2ccccc2C1 34a_100000748446_100000212216 [0,0,0,1,0,1|2,0,0]=4 9133 B16R2.2441 CSCCNC1COc2ccccc2C1 2230a_100000739546_100000751147 [0,0,0,1,0,1|2,0,0]=4 9134 B16R2.2441 CSCCNC1COc2ccccc2C1 270004a_100020590264_100000048293 [0,0,0,1,0,1|2,0,0]=4 9135 B16R2.2441 FCCCNC1CCc2ccccc2C1 2230a_100000748446_100011934791 [0,0,0,1,0,1|0,1,0]=3 9136 B16R2.2441 FCCCNC1CCc2ccccc2C1 270004a_100015189416_100000212018 [0,0,0,1,0,1|0,1,0]=3 9137 B16R2.2441 FCCCNC1CCc2ccccc2C1 34a_100000748446_100011934791 [0,0,0,1,0,1|0,1,0]=3 9138 B16R2.2441 FCCCNC1COc2ccccc2C1 2230a_100000739546_100011934791 [0,0,0,1,0,1|0,1,0]=3 9139 B16R2.2441 FCCCNC1COc2ccccc2C1 270004a_100015189416_100000048293 [0,0,0,1,0,1|0,1,0]=3 9140 B16R2.2441 FCCCOC1CCc2ccccc2C1 34a_100011216300_100011934791 [0,0,0,1,0,1|1,1,0]=4 9141 B16R2.2441 FCCCOC1CCc2ccccc2C1 7a_100011216300_100011934791 [0,0,0,1,0,1|1,1,0]=4 9142 B16R2.2441 FCCCOC1Cc2ccccc2CO1 34a_200000095866_100011934791 [0,0,0,1,0,1|1,1,0]=4 9143 B16R2.2441 N#CCCNC1CCc2ccccc2C1 2230a_100000748446_100011215226 [0,0,0,1,0,1|1,0,1]=4 9144 B16R2.2441 N#CCCNC1CCc2ccccc2C1 270004a_100000720768_100000212018 [0,0,0,1,0,1|1,0,1]=4 9145 B16R2.2441 N#CCCNC1COc2ccccc2C1 2230a_100000739546_100011215226 [0,0,0,1,0,1|1,0,1]=4 9146 B16R2.2441 N#CCCNC1COc2ccccc2C1 270004a_100000720768_100000048293 [0,0,0,1,0,1|1,0,1]=4 9147 B16R2.2441 OCCCNC1CCc2ccccc2C1 2230a_100000748446_100000230001 [0,0,0,1,0,1|1,0,0]=3 9148 B16R2.2441 OCCCNC1CCc2ccccc2C1 270004a_100000182051_100000212018 [0,0,0,1,0,1|1,0,0]=3 9149 B16R2.2441 OCCCNC1CCc2ccccc2C1 34a_100000748446_100000230001 [0,0,0,1,0,1|1,0,0]=3 9150 B16R2.2441 OCCCNC1COc2ccccc2C1 2230a_100000739546_100000230001 [0,0,0,1,0,1|1,0,0]=3 9151 B16R2.2441 OCCCNC1COc2ccccc2C1 270004a_100000182051_100000048293 [0,0,0,1,0,1|1,0,0]=3 9152 B16R2.2441 OCCCOC1CCc2ccccc2C1 34a_100011216300_100000230001 [0,0,0,1,0,1|2,0,0]=4 9153 B16R2.2441 OCCCOC1CCc2ccccc2C1 7a_100011216300_100011215043 [0,0,0,1,0,1|2,0,0]=4 9154 B16R2.2441 OCCCOC1Cc2ccccc2CO1 34a_200000095866_100000230001 [0,0,0,1,0,1|2,0,0]=4 9155 B16R2.3006 C[C@]1(CCC[C@H]1N)OCc2ccccc2 34a_100015977457_100015291786 [0,0,0,1,0,1|2,0,0]=4 9156 B16R2.3259 CC1CCCC(N1Cc2ccccc2)C 2230a_100000210447_100015291786 [0,0,0,1,0,1|2,0,0]=4 9157 B16R2.3259 CC1CCCC(N1Cc2ccccc2)C 269982a_100000210447_100000211182 [0,0,0,1,0,1|2,0,0]=4 9158 B16R2.3259 CC1CCCC(N1Cc2ccccc2)C 34a_100000210447_100015291786 [0,0,0,1,0,1|2,0,0]=4 9159 B16R2.4347 CC1(CCc2c1cccc2)OCCCF 34a_100000685031_100011934791 [0,0,0,1,0,1|1,1,0]=4 9160 B16R2.4347 CC1(CCc2c1cccc2)OCCCF 7a_100000685031_100011934791 [0,0,0,1,0,1|1,1,0]=4 9161 B16R2.4347 CC1(CCc2c1cccc2)OCCCO 34a_100000685031_100000230001 [0,0,0,1,0,1|2,0,0]=4 9162 B16R2.4347 CC1(CCc2c1cccc2)OCCCO 7a_100000685031_100011215043 [0,0,0,1,0,1|2,0,0]=4 9163 B16R2.4347 CCCCOC1(CCc2c1cccc2)C 34a_100000685031_100000210210 [0,0,0,1,0,1|2,0,0]=4 9164 B16R2.4347 CCCCOC1(CCc2c1cccc2)C 7a_100000685031_100000210211 [0,0,0,1,0,1|2,0,0]=4 9165 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100015611070 [0,0,0,1,0,1|2,0,0]=4 9166 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100015291786 [0,0,0,1,0,1|2,0,0]=4 9167 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100015611070 [0,0,0,1,0,1|2,0,0]=4 9168 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 270004a_100015324214_100000210131 [0,0,0,1,0,1|2,0,0]=4 9169 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100015291786 [0,0,0,1,0,1|2,0,0]=4 9170 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 34a_100015324214_100011217769 [0,0,0,1,0,1|2,0,0]=4 9171 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 34a_100000210790_100011217769 [0,0,0,1,0,1|2,0,0]=4 9172 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 34a_100000210887_100015291786 [0,0,0,1,0,1|2,0,0]=4 9173 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000211182 [0,0,0,1,0,1|2,0,0]=4 9174 B16R2.5334 c1ccc(cc1)CSC2CCCCCC2 62a_100000211182_100011217769 [0,0,0,1,0,1|2,0,0]=4 9175 B16R2.5334 c1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100015291786 [0,0,0,1,0,1|2,0,0]=4 9176 B16R2.5334 c1ccc(cc1)NCC2CCCCCC2 34a_100000106764_200000696569 [0,0,0,1,0,1|2,0,0]=4 9177 B16R2.5334 c1ccc(cc1)OCC2CCCCCC2 34a_100000210340_200000696569 [0,0,0,1,0,1|2,0,0]=4 9178 B16R2.5334 c1ccc(cc1)OCC2CCCCCC2 7a_100000210340_200000696569 [0,0,0,1,0,1|2,0,0]=4 9179 B16R2.5334 c1ccc(cc1)SCC2CCCCCC2 62a_100000719477_200000696569 [0,0,0,1,0,1|2,0,0]=4 9180 B16R2.5334 c1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000041952 [0,0,0,1,0,1|2,0,0]=4 9181 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 207a_100000741114_100015611070 [0,0,0,1,0,1|2,0,0]=4 9182 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 2230a_100000741114_100015291786 [0,0,0,1,0,1|2,0,0]=4 9183 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 270004a_100000741114_100015611070 [0,0,0,1,0,1|2,0,0]=4 9184 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 34a_100000741114_100015291786 [0,0,0,1,0,1|2,0,0]=4 9185 B16R2.14961 CC1(CCCCC1)OCc2ccccc2 34a_100011215885_100015291786 [0,0,0,1,0,1|2,0,0]=4 9186 B16R2.14961 CC1(CCCCC1)OCc2ccccc2 7a_100011215885_100000211182 [0,0,0,1,0,1|2,0,0]=4 9187 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 270004a_100000210798_100000241760 [0,0,0,1,0,1|1,0,0]=3 9188 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 34a_100000210798_100000749161 [0,0,0,1,0,1|1,0,0]=3 9189 B16R2.44148 CC(CCc1ccccc1)NC2COC2 270004a_100016991112_100000210092 [0,0,0,1,0,1|2,0,0]=4 9190 B16R2.44148 CC(CCc1ccccc1)NC2COC2 34a_100000210798_100009818527 [0,0,0,1,0,1|2,0,0]=4 9191 B16R2.44148 CC(CCc1ccccc1)NC2CSC2 270004a_100016994217_100000210092 [0,0,0,1,0,1|2,0,0]=4 9192 B16R2.44148 CC(COc1ccccc1)NC2CCC2 270004a_100000746794_100000241760 [0,0,0,1,0,1|1,0,0]=3 9193 B16R2.44148 CC(COc1ccccc1)NC2CCC2 34a_100000746794_100000749161 [0,0,0,1,0,1|1,0,0]=3 9194 B16R2.44148 CC(COc1ccccc1)NC2COC2 270004a_100016991112_100000150576 [0,0,0,1,0,1|2,0,0]=4 9195 B16R2.44148 CC(COc1ccccc1)NC2COC2 34a_100000746794_100009818527 [0,0,0,1,0,1|2,0,0]=4 9196 B16R2.44148 CC(COc1ccccc1)NC2CSC2 270004a_100016994217_100000150576 [0,0,0,1,0,1|2,0,0]=4 9197 B16R2.44148 CC(COc1ccccc1)OC2CCC2 34a_100000210911_100000749161 [0,0,0,1,0,1|2,0,0]=4 9198 B16R2.44148 CC(CSc1ccccc1)NC2COC2 270004a_100016991112_100000150717 [0,0,0,1,0,1|2,0,0]=4 9199 B16R2.44148 CC(CSc1ccccc1)NC2CSC2 270004a_100016994217_100000150717 [0,0,0,1,0,1|2,0,0]=4 9200 B16R2.44148 C[C@@H](CCc1ccccc1)OC2CCC2 34a_100009815974_100000749161 [0,0,0,1,0,1|2,0,0]=4 9201 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 2230a_100000210798_100000742324 [0,0,0,1,0,1|1,0,0]=3 9202 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 269862a_100000210798_100000741477 [0,0,0,1,0,1|1,0,0]=3 9203 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 270004a_100000735609_100000210092 [0,0,0,1,0,1|1,0,0]=3 9204 B16R2.44153 CC(CCc1ccccc1)NCC2CC2 34a_100000210798_100000742324 [0,0,0,1,0,1|1,0,0]=3 9205 B16R2.44153 CC(CCc1ccccc1)NCC2CO2 2230a_100000210798_100011216344 [0,0,0,1,0,1|1,0,0]=3 9206 B16R2.44153 CC(CCc1ccccc1)NCC2CO2 34a_100000210798_102125554688 [0,0,0,1,0,1|1,0,0]=3 9207 B16R2.44153 CC(COc1ccccc1)NCC2CC2 2230a_100000746794_100000742324 [0,0,0,1,0,1|1,0,0]=3 9208 B16R2.44153 CC(COc1ccccc1)NCC2CC2 269862a_100000746794_100000741477 [0,0,0,1,0,1|1,0,0]=3 9209 B16R2.44153 CC(COc1ccccc1)NCC2CC2 270004a_100000735609_100000150576 [0,0,0,1,0,1|1,0,0]=3 9210 B16R2.44153 CC(COc1ccccc1)NCC2CC2 34a_100000746794_100000742324 [0,0,0,1,0,1|1,0,0]=3 9211 B16R2.44153 CC(COc1ccccc1)NCC2CO2 2230a_100000746794_100011216344 [0,0,0,1,0,1|1,0,0]=3 9212 B16R2.44153 CC(COc1ccccc1)NCC2CO2 34a_100000746794_102125554688 [0,0,0,1,0,1|1,0,0]=3 9213 B16R2.44153 CC(COc1ccccc1)OCC2CC2 34a_100000210911_100000742324 [0,0,0,1,0,1|2,0,0]=4 9214 B16R2.44153 CC(COc1ccccc1)OCC2CC2 7a_100000210911_100000742324 [0,0,0,1,0,1|2,0,0]=4 9215 B16R2.44153 CC(COc1ccccc1)OCC2CO2 34a_100000210911_102125554688 [0,0,0,1,0,1|2,0,0]=4 9216 B16R2.44153 CC(COc1ccccc1)OCC2CO2 7a_100000210911_102125554688 [0,0,0,1,0,1|2,0,0]=4 9217 B16R2.44153 CC(COc1ccccc1)OCC2CS2 7a_100000210911_100000031435 [0,0,0,1,0,1|2,0,0]=4 9218 B16R2.44153 CC(COc1ccccc1)OC[C@@H]2CO2 7a_100000210911_100000745022 [0,0,0,1,0,1|2,0,0]=4 9219 B16R2.44153 CC(CSc1ccccc1)NCC2CC2 270004a_100000735609_100000150717 [0,0,0,1,0,1|1,0,0]=3 9220 B16R2.44153 C[C@@H](CCc1ccccc1)OCC2CC2 34a_100009815974_100000742324 [0,0,0,1,0,1|2,0,0]=4 9221 B16R2.44153 C[C@@H](CCc1ccccc1)OCC2CC2 7a_100009815974_100000742324 [0,0,0,1,0,1|2,0,0]=4 9222 B16R2.44153 C[C@@H](CCc1ccccc1)OCC2CO2 34a_100009815974_102125554688 [0,0,0,1,0,1|2,0,0]=4 9223 B16R2.44153 C[C@@H](CCc1ccccc1)OCC2CO2 7a_100009815974_102125554688 [0,0,0,1,0,1|2,0,0]=4 9224 B16R2.44153 C[C@@H](CCc1ccccc1)OCC2CS2 7a_100009815974_100000031435 [0,0,0,1,0,1|2,0,0]=4 9225 B16R2.44153 C[C@@H](CCc1ccccc1)OC[C@@H]2CO2 7a_100009815974_100000745022 [0,0,0,1,0,1|2,0,0]=4 9226 B16R2.23 CCN1CCCC(C1)Cc2ccccc2 2230a_100000752525_100000210202 [0,1,0,1,0,0|2,0,0]=4 9227 B16R2.23 CCN1CCCC(C1)Cc2ccccc2 269982a_100000752525_100000204670 [0,1,0,1,0,0|2,0,0]=4 9228 B16R2.23 CCN1CCCC(C1)Cc2ccccc2 34a_100000752525_100000210202 [0,1,0,1,0,0|2,0,0]=4 9229 B16R2.23 CCN1CCOC(C1)Cc2ccccc2 2230a_100000697294_100000210202 [0,1,0,1,0,0|2,0,0]=4 9230 B16R2.23 CCN1CCOC(C1)Cc2ccccc2 269982a_100000697294_100000204670 [0,1,0,1,0,0|2,0,0]=4 9231 B16R2.23 CCN1CCOC(C1)Cc2ccccc2 34a_100000697294_100000210202 [0,1,0,1,0,0|2,0,0]=4 9232 B16R2.23 FCN1CCCC(C1)Cc2ccccc2 269982a_100000752525_100015361967 [0,1,0,1,0,0|1,1,0]=4 9233 B16R2.23 FCN1CCCC(C1)Cc2ccccc2 34a_100000752525_100015361967 [0,1,0,1,0,0|1,1,0]=4 9234 B16R2.23 FCN1CCOC(C1)Cc2ccccc2 269982a_100000697294_100015361967 [0,1,0,1,0,0|1,1,0]=4 9235 B16R2.23 FCN1CCOC(C1)Cc2ccccc2 34a_100000697294_100015361967 [0,1,0,1,0,0|1,1,0]=4 9236 B16R2.88 CC(C[n+]1ccccc1)N2CCCOC2 270004a_100000131196_100000034229 [0,1,0,1,0,0|2,0,0]=4 9237 B16R2.88 CC(C[n+]1ccccc1)N2CCOCC2 270004a_100015191051_100000034229 [0,1,0,1,0,0|2,0,0]=4 9238 B16R2.88 CC(C[n+]1ccccc1)N2CCSCC2 270004a_100000737611_100000034229 [0,1,0,1,0,0|2,0,0]=4 9239 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 269982a_100000698166_200011218536 [0,1,0,1,0,0|1,0,1]=4 9240 B16R2.88 CC(Cc1ccccc1)N2CC=CCC2 34a_100000698166_200011218536 [0,1,0,1,0,0|1,0,1]=4 9241 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 269982a_100000131196_200011218536 [0,1,0,1,0,0|1,0,0]=3 9242 B16R2.88 CC(Cc1ccccc1)N2CCCOC2 34a_100000131196_200011218536 [0,1,0,1,0,0|1,0,0]=3 9243 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 269982a_100015191051_200011218536 [0,1,0,1,0,0|1,0,0]=3 9244 B16R2.88 CC(Cc1ccccc1)N2CCOCC2 34a_100015191051_200011218536 [0,1,0,1,0,0|1,0,0]=3 9245 B16R2.88 CC(Cc1ccccc1)N2CCSCC2 269982a_100000737611_200011218536 [0,1,0,1,0,0|1,0,0]=3 9246 B16R2.88 CC(Cc1cccnc1)N2CCCOC2 270004a_100000131196_100015187140 [0,1,0,1,0,0|2,0,0]=4 9247 B16R2.88 CC(Cc1cccnc1)N2CCOCC2 270004a_100015191051_100015187140 [0,1,0,1,0,0|2,0,0]=4 9248 B16R2.88 CC(Cc1cccnc1)N2CCSCC2 270004a_100000737611_100015187140 [0,1,0,1,0,0|2,0,0]=4 9249 B16R2.88 CC(Cc1ccncc1)N2CCCOC2 270004a_100000131196_100000238508 [0,1,0,1,0,0|2,0,0]=4 9250 B16R2.88 CC(Cc1ccncc1)N2CCOCC2 270004a_100015191051_100000238508 [0,1,0,1,0,0|2,0,0]=4 9251 B16R2.88 CC(Cc1ccncc1)N2CCSCC2 270004a_100000737611_100000238508 [0,1,0,1,0,0|2,0,0]=4 9252 B16R2.118 CCCCN1CC(C1)Oc2ccccc2 269982a_100000751016_100000210211 [0,1,0,1,0,0|2,0,0]=4 9253 B16R2.118 FCCCN1CC(C1)Oc2ccccc2 269982a_100000751016_100011934791 [0,1,0,1,0,0|1,1,0]=4 9254 B16R2.118 OCCCN1CC(C1)Oc2ccccc2 269982a_100000751016_100011215043 [0,1,0,1,0,0|2,0,0]=4 9255 B16R2.278 CC(Cc1ccccc1)OC2CCC2=O 34a_100000748627_100009892977 [0,1,0,1,0,0|2,0,0]=4 9256 B16R2.278 CC(Cc1ccccc1)OC2CCC2=O 7a_100000748627_100009892977 [0,1,0,1,0,0|2,0,0]=4 9257 B16R2.278 CC(Cc1ccccc1)SC2CCC2=O 62a_100009892977_200011218536 [0,1,0,1,0,0|2,0,0]=4 9258 B16R2.278 CC(Cc1ccccc1)SC2CCC2=O 62a_200011218536_100009892977 [0,1,0,1,0,0|2,0,0]=4 9259 B16R2.278 CC1CCN1C[C@@H](O)Cc2ccccc2 269982a_100000755817_100000729385 [0,1,0,1,0,0|2,0,0]=4 9260 B16R2.278 CC1CCN1C[C@@H](O)Cc2ccccc2 34a_100000755817_100000729385 [0,1,0,1,0,0|2,0,0]=4 9261 B16R2.524 CC(C[n+]1ccccc1)NC2CCCC2 270004a_100000211070_100000034229 [0,1,0,1,0,0|2,0,0]=4 9262 B16R2.524 CC(C[n+]1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000034229 [0,1,0,1,0,0|2,0,0]=4 9263 B16R2.524 CC(C[n+]1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000034229 [0,1,0,1,0,0|2,0,0]=4 9264 B16R2.524 CC(Cc1ccccc1)NC2CCCC2 34a_100000211070_200011218536 [0,1,0,1,0,0|1,0,0]=3 9265 B16R2.524 CC(Cc1ccccc1)N[C@H]2CCOC2 34a_100015188467_200011218536 [0,1,0,1,0,0|1,0,0]=3 9266 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 34a_100000210269_200011218536 [0,1,0,1,0,0|2,0,0]=4 9267 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 34a_100000748627_100000179811 [0,1,0,1,0,0|2,0,0]=4 9268 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 7a_100000210269_200011218536 [0,1,0,1,0,0|2,0,0]=4 9269 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 7a_100000748627_100000179811 [0,1,0,1,0,0|2,0,0]=4 9270 B16R2.524 CC(Cc1ccccc1)OC2CCCO2 34a_100000085407_200011218536 [0,1,0,1,0,0|2,0,0]=4 9271 B16R2.524 CC(Cc1ccccc1)OC2CCOC2 34a_100000748627_100000690089 [0,1,0,1,0,0|2,0,0]=4 9272 B16R2.524 CC(Cc1ccccc1)OC2CCOC2 7a_100000748627_100000731011 [0,1,0,1,0,0|2,0,0]=4 9273 B16R2.524 CC(Cc1ccccc1)OC2CCSC2 7a_100011232664_200011218536 [0,1,0,1,0,0|2,0,0]=4 9274 B16R2.524 CC(Cc1ccccc1)O[C@H]2CCOC2 34a_100000717292_200011218536 [0,1,0,1,0,0|2,0,0]=4 9275 B16R2.524 CC(Cc1ccccc1)SC2CCCC2 62a_100011217020_200011218536 [0,1,0,1,0,0|2,0,0]=4 9276 B16R2.524 CC(Cc1ccccc1)SC2CCCC2 62a_200011218536_100000179811 [0,1,0,1,0,0|2,0,0]=4 9277 B16R2.524 CC(Cc1ccccc1)SC2CCOC2 62a_200011218536_100000690089 [0,1,0,1,0,0|2,0,0]=4 9278 B16R2.524 CC(Cc1ccccn1)NC2CCCC2 2230a_100000238496_100000179811 [0,1,0,1,0,0|2,0,0]=4 9279 B16R2.524 CC(Cc1ccccn1)NC2CCCC2 270004a_100000238496_100000210133 [0,1,0,1,0,0|2,0,0]=4 9280 B16R2.524 CC(Cc1ccccn1)NC2CCOC2 2230a_100000238496_100000731011 [0,1,0,1,0,0|2,0,0]=4 9281 B16R2.524 CC(Cc1ccccn1)NC2CCOC2 270004a_100000238496_100000752484 [0,1,0,1,0,0|2,0,0]=4 9282 B16R2.524 CC(Cc1ccccn1)NC2CCSC2 270004a_100000238496_100000212027 [0,1,0,1,0,0|2,0,0]=4 9283 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 2230a_100011207255_100000179811 [0,1,0,1,0,0|2,0,0]=4 9284 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 270004a_100000211070_100015187140 [0,1,0,1,0,0|2,0,0]=4 9285 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 270004a_100011207255_100000210133 [0,1,0,1,0,0|2,0,0]=4 9286 B16R2.524 CC(Cc1cccnc1)NC2CCOC2 2230a_100011207255_100000731011 [0,1,0,1,0,0|2,0,0]=4 9287 B16R2.524 CC(Cc1cccnc1)NC2CCOC2 270004a_100011207255_100000752484 [0,1,0,1,0,0|2,0,0]=4 9288 B16R2.524 CC(Cc1cccnc1)NC2CCSC2 270004a_100011207255_100000212027 [0,1,0,1,0,0|2,0,0]=4 9289 B16R2.524 CC(Cc1cccnc1)N[C@@H]2CCOC2 270004a_200015188469_100015187140 [0,1,0,1,0,0|2,0,0]=4 9290 B16R2.524 CC(Cc1cccnc1)N[C@H]2CCOC2 270004a_100015188467_100015187140 [0,1,0,1,0,0|2,0,0]=4 9291 B16R2.524 CC(Cc1ccncc1)NC2CCCC2 270004a_100000211070_100000238508 [0,1,0,1,0,0|2,0,0]=4 9292 B16R2.524 CC(Cc1ccncc1)N[C@@H]2CCOC2 270004a_200015188469_100000238508 [0,1,0,1,0,0|2,0,0]=4 9293 B16R2.524 CC(Cc1ccncc1)N[C@H]2CCOC2 270004a_100015188467_100000238508 [0,1,0,1,0,0|2,0,0]=4 9294 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCCC2 2230a_100000188435_100000729385 [0,1,0,1,0,0|2,0,0]=4 9295 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCCC2 269982a_100000188435_100000729385 [0,1,0,1,0,0|2,0,0]=4 9296 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000731252 [0,1,0,1,0,0|1,0,0]=3 9297 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000695029 [0,1,0,1,0,0|1,0,0]=3 9298 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011713584 [0,1,0,1,0,0|1,0,0]=3 9299 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757094 [0,1,0,1,0,0|1,0,0]=3 9300 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000039644 [0,1,0,1,0,0|1,0,1]=4 9301 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000039644 [0,1,0,1,0,0|1,0,1]=4 9302 B16R2.1265 CC/C=C\CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100103147603 [0,1,0,1,0,0|1,0,1]=4 9303 B16R2.1265 CC/C=C\CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100103147603 [0,1,0,1,0,0|1,0,1]=4 9304 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813939 [0,1,0,1,0,0|1,0,1]=4 9305 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009813939 [0,1,0,1,0,0|1,0,1]=4 9306 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210326 [0,1,0,1,0,0|1,0,0]=3 9307 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000718602 [0,1,0,1,0,0|1,0,0]=3 9308 B16R2.1265 CCCCOCC1CC1c2ccccc2 34a_100011997005_100000210210 [0,1,0,1,0,0|2,0,0]=4 9309 B16R2.1265 CCCCOCC1CC1c2ccccc2 7a_100011997005_100000210211 [0,1,0,1,0,0|2,0,0]=4 9310 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215890 [0,1,0,1,0,0|1,0,0]=3 9311 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210147 [0,1,0,1,0,0|1,0,0]=3 9312 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000757381 [0,1,0,1,0,0|1,0,0]=3 9313 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757381 [0,1,0,1,0,0|1,0,0]=3 9314 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000740836 [0,1,0,1,0,0|1,0,0]=3 9315 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000740836 [0,1,0,1,0,0|1,0,0]=3 9316 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000729493 [0,1,0,1,0,0|0,1,0]=3 9317 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000729493 [0,1,0,1,0,0|0,1,0]=3 9318 B16R2.1265 FCCCOCC1CC1c2ccccc2 34a_100011997005_100011934791 [0,1,0,1,0,0|1,1,0]=4 9319 B16R2.1265 FCCCOCC1CC1c2ccccc2 7a_100011997005_100011934791 [0,1,0,1,0,0|1,1,0]=4 9320 B16R2.1265 N#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000687738 [0,1,0,1,0,0|1,0,0]=3 9321 B16R2.1265 O=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200011292268 [0,1,0,1,0,0|1,0,0]=3 9322 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000047223 [0,1,0,1,0,0|1,0,1]=4 9323 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000047223 [0,1,0,1,0,0|1,0,1]=4 9324 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210776 [0,1,0,1,0,0|1,0,0]=3 9325 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011216708 [0,1,0,1,0,0|1,0,0]=3 9326 B16R2.1265 OCCCOCC1CC1c2ccccc2 34a_100011997005_100000230001 [0,1,0,1,0,0|2,0,0]=4 9327 B16R2.1265 OCCCOCC1CC1c2ccccc2 7a_100011997005_100011215043 [0,1,0,1,0,0|2,0,0]=4 9328 B16R2.2875 BrCCCCOC1Cc2ccccc2C1 34a_100011216708_100000753484 [0,1,0,1,0,0|1,1,0]=4 9329 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000731252 [0,1,0,1,0,0|1,0,0]=3 9330 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 34a_100000718082_100000753484 [0,1,0,1,0,0|1,0,0]=3 9331 B16R2.2875 C#CCCCNC1Cc2ccccc2C1 34a_100000753258_100000695029 [0,1,0,1,0,0|1,0,0]=3 9332 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 34a_100000215630_100000753484 [0,1,0,1,0,0|2,0,0]=4 9333 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 34a_100011215286_100000695029 [0,1,0,1,0,0|2,0,0]=4 9334 B16R2.2875 C#CCCCOC1Cc2ccccc2C1 7a_100000215630_100000753484 [0,1,0,1,0,0|2,0,0]=4 9335 B16R2.2875 C#CCCCSC1Cc2ccccc2C1 62a_100011215417_100000753484 [0,1,0,1,0,0|2,0,0]=4 9336 B16R2.2875 C#CCCNCC1Cc2ccccc2C1 2230a_100000757167_100000688953 [0,1,0,1,0,0|1,0,1]=4 9337 B16R2.2875 C#CCCNCC1Cc2ccccc2C1 34a_100000757167_100000688953 [0,1,0,1,0,0|1,0,1]=4 9338 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 2230a_100000753258_100011713584 [0,1,0,1,0,0|1,0,0]=3 9339 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 34a_100000700776_100000753484 [0,1,0,1,0,0|1,0,0]=3 9340 B16R2.2875 C=CCCCNC1Cc2ccccc2C1 34a_100000753258_100000757094 [0,1,0,1,0,0|1,0,0]=3 9341 B16R2.2875 C=CCCCOC1Cc2ccccc2C1 34a_100000758997_100000753484 [0,1,0,1,0,0|2,0,0]=4 9342 B16R2.2875 C=CCCCOC1Cc2ccccc2C1 34a_100011215286_100000757094 [0,1,0,1,0,0|2,0,0]=4 9343 B16R2.2875 C=CCCCOC1Cc2ccccc2C1 7a_100000758997_100000753484 [0,1,0,1,0,0|2,0,0]=4 9344 B16R2.2875 C=CCCCSC1Cc2ccccc2C1 62a_100011713584_100000753484 [0,1,0,1,0,0|2,0,0]=4 9345 B16R2.2875 C=CCCNCC1Cc2ccccc2C1 2230a_100000757167_100000754431 [0,1,0,1,0,0|1,0,1]=4 9346 B16R2.2875 C=CCCNCC1Cc2ccccc2C1 34a_100000757167_100000754431 [0,1,0,1,0,0|1,0,1]=4 9347 B16R2.2875 C=COCCNC1Cc2ccccc2C1 2230a_100000753258_100000039644 [0,1,0,1,0,0|1,0,1]=4 9348 B16R2.2875 C=COCCNC1Cc2ccccc2C1 34a_100000753258_100000039644 [0,1,0,1,0,0|1,0,1]=4 9349 B16R2.2875 CC/C=C\CNC1Cc2ccccc2C1 2230a_100000753258_100103147603 [0,1,0,1,0,0|1,0,1]=4 9350 B16R2.2875 CC/C=C\CNC1Cc2ccccc2C1 34a_100000753258_100103147603 [0,1,0,1,0,0|1,0,1]=4 9351 B16R2.2875 CCC#CCNC1Cc2ccccc2C1 2230a_100000753258_100009813939 [0,1,0,1,0,0|1,0,1]=4 9352 B16R2.2875 CCC#CCNC1Cc2ccccc2C1 34a_100000753258_100009813939 [0,1,0,1,0,0|1,0,1]=4 9353 B16R2.2875 CCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210326 [0,1,0,1,0,0|1,0,0]=3 9354 B16R2.2875 CCCCCNC1Cc2ccccc2C1 34a_100000753258_100000718602 [0,1,0,1,0,0|1,0,0]=3 9355 B16R2.2875 CCCCCOC1Cc2ccccc2C1 34a_100000210253_100000753484 [0,1,0,1,0,0|2,0,0]=4 9356 B16R2.2875 CCCCCOC1Cc2ccccc2C1 34a_100011215286_100000718602 [0,1,0,1,0,0|2,0,0]=4 9357 B16R2.2875 CCCCCOC1Cc2ccccc2C1 7a_100000210253_100000753484 [0,1,0,1,0,0|2,0,0]=4 9358 B16R2.2875 CCCCCSC1Cc2ccccc2C1 62a_100000210326_100000753484 [0,1,0,1,0,0|2,0,0]=4 9359 B16R2.2875 CCCCNCC1Cc2ccccc2C1 2230a_100000757167_100000210211 [0,1,0,1,0,0|1,0,0]=3 9360 B16R2.2875 CCCCNCC1Cc2ccccc2C1 34a_100000757167_100000210210 [0,1,0,1,0,0|1,0,0]=3 9361 B16R2.2875 CCCCNCC1Cc2ccccc2O1 2230a_100015207006_100000210211 [0,1,0,1,0,0|2,0,0]=4 9362 B16R2.2875 CCCCNCC1Cc2ccccc2O1 34a_100015207006_100000210210 [0,1,0,1,0,0|2,0,0]=4 9363 B16R2.2875 CCCCNN=C1Cc2ccccc2C1 4a_100025702795_100000211675 [0,1,0,1,0,0|1,0,1]=4 9364 B16R2.2875 CCCCOCC1Cc2ccccc2C1 34a_100000720471_100000210210 [0,1,0,1,0,0|2,0,0]=4 9365 B16R2.2875 CCOCCNC1Cc2ccccc2C1 2230a_100000753258_100011215890 [0,1,0,1,0,0|1,0,0]=3 9366 B16R2.2875 CCOCCNC1Cc2ccccc2C1 34a_100000753258_100000210147 [0,1,0,1,0,0|1,0,0]=3 9367 B16R2.2875 CCOCCNC1Cc2ccccc2C1 34a_102516460346_100000753484 [0,1,0,1,0,0|1,0,0]=3 9368 B16R2.2875 CCOCCOC1Cc2ccccc2C1 34a_100000210136_100000753484 [0,1,0,1,0,0|2,0,0]=4 9369 B16R2.2875 CCOCCOC1Cc2ccccc2C1 34a_100011215286_100000210147 [0,1,0,1,0,0|2,0,0]=4 9370 B16R2.2875 CCOCCOC1Cc2ccccc2C1 7a_100000210136_100000753484 [0,1,0,1,0,0|2,0,0]=4 9371 B16R2.2875 CCOCCSC1Cc2ccccc2C1 62a_100000210147_100000753484 [0,1,0,1,0,0|2,0,0]=4 9372 B16R2.2875 CCSCCNC1Cc2ccccc2C1 2230a_100000753258_100000757381 [0,1,0,1,0,0|1,0,0]=3 9373 B16R2.2875 CCSCCNC1Cc2ccccc2C1 34a_100000753258_100000757381 [0,1,0,1,0,0|1,0,0]=3 9374 B16R2.2875 CCSCCOC1Cc2ccccc2C1 34a_100000212035_100000753484 [0,1,0,1,0,0|2,0,0]=4 9375 B16R2.2875 CCSCCOC1Cc2ccccc2C1 34a_100011215286_100000757381 [0,1,0,1,0,0|2,0,0]=4 9376 B16R2.2875 CCSCCOC1Cc2ccccc2C1 7a_100000212035_100000753484 [0,1,0,1,0,0|2,0,0]=4 9377 B16R2.2875 CCSCCSC1Cc2ccccc2C1 62a_100000757381_100000753484 [0,1,0,1,0,0|2,0,0]=4 9378 B16R2.2875 CNCCCOC1Cc2ccccc2C1 34a_100000213112_100000753484 [0,1,0,1,0,0|2,0,0]=4 9379 B16R2.2875 COCCCNC1Cc2ccccc2C1 2230a_100000753258_100000740836 [0,1,0,1,0,0|1,0,0]=3 9380 B16R2.2875 COCCCNC1Cc2ccccc2C1 34a_100000753258_100000740836 [0,1,0,1,0,0|1,0,0]=3 9381 B16R2.2875 COCCCNC1Cc2ccccc2C1 34a_100150723488_100000753484 [0,1,0,1,0,0|1,0,0]=3 9382 B16R2.2875 COCCCOC1Cc2ccccc2C1 34a_100000740835_100000753484 [0,1,0,1,0,0|2,0,0]=4 9383 B16R2.2875 COCCCOC1Cc2ccccc2C1 34a_100011215286_100000740836 [0,1,0,1,0,0|2,0,0]=4 9384 B16R2.2875 COCCCSC1Cc2ccccc2C1 62a_100000709357_100000753484 [0,1,0,1,0,0|2,0,0]=4 9385 B16R2.2875 COCCNCC1Cc2ccccc2C1 2230a_100000757167_100011201679 [0,1,0,1,0,0|2,0,0]=4 9386 B16R2.2875 COCCNCC1Cc2ccccc2C1 34a_100000757167_100011201679 [0,1,0,1,0,0|2,0,0]=4 9387 B16R2.2875 CSCCCOC1Cc2ccccc2C1 34a_100000690336_100000753484 [0,1,0,1,0,0|2,0,0]=4 9388 B16R2.2875 CSCCCOC1Cc2ccccc2C1 7a_100000690336_100000753484 [0,1,0,1,0,0|2,0,0]=4 9389 B16R2.2875 CSCCNCC1Cc2ccccc2C1 2230a_100000757167_100000751147 [0,1,0,1,0,0|2,0,0]=4 9390 B16R2.2875 CSCCNCC1Cc2ccccc2C1 34a_100000757167_100000212216 [0,1,0,1,0,0|2,0,0]=4 9391 B16R2.2875 ClCC#CCOC1Cc2ccccc2C1 34a_200000047223_100000753484 [0,1,0,1,0,0|1,0,1]=4 9392 B16R2.2875 ClCCCCOC1Cc2ccccc2C1 34a_100000210776_100000753484 [0,1,0,1,0,0|1,0,0]=3 9393 B16R2.2875 ClCCCCOC1Cc2ccccc2C1 7a_100000210776_100000753484 [0,1,0,1,0,0|1,0,0]=3 9394 B16R2.2875 FCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000729493 [0,1,0,1,0,0|0,1,0]=3 9395 B16R2.2875 FCCCCNC1Cc2ccccc2C1 34a_100000753258_100000729493 [0,1,0,1,0,0|0,1,0]=3 9396 B16R2.2875 FCCCCOC1Cc2ccccc2C1 34a_100011215286_100000729493 [0,1,0,1,0,0|1,1,0]=4 9397 B16R2.2875 FCCCCOC1Cc2ccccc2C1 34a_100011995726_100000753484 [0,1,0,1,0,0|1,1,0]=4 9398 B16R2.2875 FCCCCOC1Cc2ccccc2C1 7a_100011995726_100000753484 [0,1,0,1,0,0|1,1,0]=4 9399 B16R2.2875 FCCCCSC1Cc2ccccc2C1 62a_100000729493_100000753484 [0,1,0,1,0,0|1,1,0]=4 9400 B16R2.2875 FCCCNCC1Cc2ccccc2C1 2230a_100000757167_100011934791 [0,1,0,1,0,0|0,1,0]=3 9401 B16R2.2875 FCCCNCC1Cc2ccccc2C1 34a_100000757167_100011934791 [0,1,0,1,0,0|0,1,0]=3 9402 B16R2.2875 FCCCNCC1Cc2ccccc2O1 2230a_100015207006_100011934791 [0,1,0,1,0,0|1,1,0]=4 9403 B16R2.2875 FCCCNCC1Cc2ccccc2O1 34a_100015207006_100011934791 [0,1,0,1,0,0|1,1,0]=4 9404 B16R2.2875 FCCCOCC1Cc2ccccc2C1 34a_100000720471_100011934791 [0,1,0,1,0,0|1,1,0]=4 9405 B16R2.2875 ICCCCOC1Cc2ccccc2C1 34a_200012148704_100000753484 [0,1,0,1,0,0|1,1,0]=4 9406 B16R2.2875 N#CCCCNC1Cc2ccccc2C1 2230a_100000753258_100000687738 [0,1,0,1,0,0|1,0,0]=3 9407 B16R2.2875 N#CCCCSC1Cc2ccccc2C1 62a_100000687738_100000753484 [0,1,0,1,0,0|2,0,0]=4 9408 B16R2.2875 N#CCCNCC1Cc2ccccc2C1 2230a_100000757167_100011215226 [0,1,0,1,0,0|1,0,1]=4 9409 B16R2.2875 NCCCCOC1Cc2ccccc2C1 34a_100000750430_100000753484 [0,1,0,1,0,0|2,0,0]=4 9410 B16R2.2875 O=CCCCNC1Cc2ccccc2C1 2230a_100000753258_200011292268 [0,1,0,1,0,0|1,0,0]=3 9411 B16R2.2875 O=CCCCSC1Cc2ccccc2C1 62a_200011292268_100000753484 [0,1,0,1,0,0|2,0,0]=4 9412 B16R2.2875 OCC#CCNC1Cc2ccccc2C1 2230a_100000753258_200000047223 [0,1,0,1,0,0|1,0,1]=4 9413 B16R2.2875 OCC#CCNC1Cc2ccccc2C1 34a_100000753258_200000047223 [0,1,0,1,0,0|1,0,1]=4 9414 B16R2.2875 OCCCCNC1Cc2ccccc2C1 2230a_100000753258_100000210776 [0,1,0,1,0,0|1,0,0]=3 9415 B16R2.2875 OCCCCNC1Cc2ccccc2C1 34a_100000750430_100000753484 [0,1,0,1,0,0|1,0,0]=3 9416 B16R2.2875 OCCCCNC1Cc2ccccc2C1 34a_100000753258_100011216708 [0,1,0,1,0,0|1,0,0]=3 9417 B16R2.2875 OCCCCOC1Cc2ccccc2C1 34a_100011215286_100011216708 [0,1,0,1,0,0|2,0,0]=4 9418 B16R2.2875 OCCCCSC1Cc2ccccc2C1 62a_100000210776_100000753484 [0,1,0,1,0,0|2,0,0]=4 9419 B16R2.2875 OCCCNCC1Cc2ccccc2C1 2230a_100000757167_100000230001 [0,1,0,1,0,0|1,0,0]=3 9420 B16R2.2875 OCCCNCC1Cc2ccccc2C1 34a_100000757167_100000230001 [0,1,0,1,0,0|1,0,0]=3 9421 B16R2.2875 OCCCNCC1Cc2ccccc2O1 2230a_100015207006_100000230001 [0,1,0,1,0,0|2,0,0]=4 9422 B16R2.2875 OCCCNCC1Cc2ccccc2O1 34a_100015207006_100000230001 [0,1,0,1,0,0|2,0,0]=4 9423 B16R2.2875 OCCCOCC1Cc2ccccc2C1 34a_100000720471_100000230001 [0,1,0,1,0,0|2,0,0]=4 9424 B16R2.3005 CC(C[n+]1ccccc1)N2CCC[C@@H]2C 270004a_100020605311_100000034229 [0,1,0,1,0,0|2,0,0]=4 9425 B16R2.3005 CC(C[n+]1ccccc1)N2CCC[C@H]2C 270004a_100015189458_100000034229 [0,1,0,1,0,0|2,0,0]=4 9426 B16R2.3005 CC(C[n+]1ccccc1)N2CCSC2C 270004a_200011216479_100000034229 [0,1,0,1,0,0|2,0,0]=4 9427 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@@H]2C 269982a_100020605311_200011218536 [0,1,0,1,0,0|1,0,0]=3 9428 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@H]2C 269982a_100015189458_200011218536 [0,1,0,1,0,0|1,0,0]=3 9429 B16R2.3005 CC(Cc1ccccc1)N2CCC[C@H]2C 34a_100015189458_200011218536 [0,1,0,1,0,0|1,0,0]=3 9430 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 269982a_200011216479_200011218536 [0,1,0,1,0,0|1,0,0]=3 9431 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 34a_200011216479_200011218536 [0,1,0,1,0,0|1,0,0]=3 9432 B16R2.3005 CC(Cc1cccnc1)N2CCC[C@@H]2C 270004a_100020605311_100015187140 [0,1,0,1,0,0|2,0,0]=4 9433 B16R2.3005 CC(Cc1cccnc1)N2CCC[C@H]2C 270004a_100015189458_100015187140 [0,1,0,1,0,0|2,0,0]=4 9434 B16R2.3005 CC(Cc1cccnc1)N2CCSC2C 270004a_200011216479_100015187140 [0,1,0,1,0,0|2,0,0]=4 9435 B16R2.3005 CC(Cc1ccncc1)N2CCC[C@@H]2C 270004a_100020605311_100000238508 [0,1,0,1,0,0|2,0,0]=4 9436 B16R2.3005 CC(Cc1ccncc1)N2CCC[C@H]2C 270004a_100015189458_100000238508 [0,1,0,1,0,0|2,0,0]=4 9437 B16R2.3005 CC(Cc1ccncc1)N2CCSC2C 270004a_200011216479_100000238508 [0,1,0,1,0,0|2,0,0]=4 9438 B16R2.3190 CC(Cc1ccccc1)OCC2CC2C 34a_100000744939_200011218536 [0,1,0,1,0,0|2,0,0]=4 9439 B16R2.3190 CC(Cc1ccccc1)OCC2CC2C 7a_100000744939_200011218536 [0,1,0,1,0,0|2,0,0]=4 9440 B16R2.3190 O[C@H](CN[C@@H]1C[C@@H]1F)Cc2ccccc2 2230a_100015190264_100000729385 [0,1,0,1,0,0|1,1,0]=4 9441 B16R2.3190 O[C@H](CN[C@@H]1C[C@H]1F)Cc2ccccc2 2230a_100025746932_100000729385 [0,1,0,1,0,0|1,1,0]=4 9442 B16R2.3190 O[C@H](CN[C@@H]1C[C@H]1F)Cc2ccccc2 34a_100025746932_100000729385 [0,1,0,1,0,0|1,1,0]=4 9443 B16R2.6335 CCCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210211 [0,1,0,1,0,0|2,0,0]=4 9444 B16R2.6335 OCCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000230001 [0,1,0,1,0,0|2,0,0]=4 9445 B16R2.6335 O[C@@H]1Cc2ccccc2[C@@H]1NCCCF 2230a_100000744645_100011934791 [0,1,0,1,0,0|1,1,0]=4 9446 B16R2.10947 CC(CNCC1CC1)Oc2ccccc2 2230a_100000755676_100000742324 [0,1,0,1,0,0|2,0,0]=4 9447 B16R2.10947 CC(CNCC1CC1)Oc2ccccc2 269862a_100000755676_100000741477 [0,1,0,1,0,0|2,0,0]=4 9448 B16R2.10947 CC(CNCC1CC1)Oc2ccccc2 34a_100000755676_100000742324 [0,1,0,1,0,0|2,0,0]=4 9449 B16R2.10947 CC(CNCC1CO1)Oc2ccccc2 2230a_100000755676_100011216344 [0,1,0,1,0,0|2,0,0]=4 9450 B16R2.10947 CC(CNCC1CO1)Oc2ccccc2 34a_100000755676_102125554688 [0,1,0,1,0,0|2,0,0]=4 9451 B16R2.10947 CC(COCC1CC1)Cc2ccccc2 34a_100012125295_100000742324 [0,1,0,1,0,0|2,0,0]=4 9452 B16R2.10947 CC(COCC1CC1)Cc2ccccc2 7a_100012125295_100000742324 [0,1,0,1,0,0|2,0,0]=4 9453 B16R2.10947 CC(COCC1CO1)Cc2ccccc2 34a_100012125295_102125554688 [0,1,0,1,0,0|2,0,0]=4 9454 B16R2.10947 CC(COCC1CO1)Cc2ccccc2 7a_100012125295_102125554688 [0,1,0,1,0,0|2,0,0]=4 9455 B16R2.10947 CC(COCC1CS1)Cc2ccccc2 7a_100012125295_100000031435 [0,1,0,1,0,0|2,0,0]=4 9456 B16R2.10947 CC(COC[C@@H]1CO1)Cc2ccccc2 7a_100012125295_100000745022 [0,1,0,1,0,0|2,0,0]=4 9457 B16R2.10947 CC(C[n+]1ccccc1)NCCC2CC2 270004a_100000764129_100000034229 [0,1,0,1,0,0|2,0,0]=4 9458 B16R2.10947 CC(Cc1ccccc1)NCCC2CC2 34a_100000764129_200011218536 [0,1,0,1,0,0|1,0,0]=3 9459 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 34a_100000748627_100000694398 [0,1,0,1,0,0|2,0,0]=4 9460 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 34a_100000754188_200011218536 [0,1,0,1,0,0|2,0,0]=4 9461 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 7a_100000748627_100000764125 [0,1,0,1,0,0|2,0,0]=4 9462 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 7a_100000754188_200011218536 [0,1,0,1,0,0|2,0,0]=4 9463 B16R2.10947 CC(Cc1ccccc1)OCCC2CO2 34a_100000748627_100000732470 [0,1,0,1,0,0|2,0,0]=4 9464 B16R2.10947 CC(Cc1ccccc1)OCCC2CO2 7a_100000748627_100000732470 [0,1,0,1,0,0|2,0,0]=4 9465 B16R2.10947 CC(Cc1ccccc1)OCC[C@@H]2CO2 34a_100009820653_200011218536 [0,1,0,1,0,0|2,0,0]=4 9466 B16R2.10947 CC(Cc1ccccc1)SCCC2CC2 62a_100000764125_200011218536 [0,1,0,1,0,0|2,0,0]=4 9467 B16R2.10947 CC(Cc1ccccc1)SCCC2CC2 62a_200011218536_100000764125 [0,1,0,1,0,0|2,0,0]=4 9468 B16R2.10947 CC(Cc1ccccc1)SCCC2CO2 62a_100000732470_200011218536 [0,1,0,1,0,0|2,0,0]=4 9469 B16R2.10947 CC(Cc1ccccc1)SCCC2CO2 62a_200011218536_100000732470 [0,1,0,1,0,0|2,0,0]=4 9470 B16R2.10947 CC(Cc1ccccn1)NCCC2CC2 2230a_100000238496_100000694398 [0,1,0,1,0,0|2,0,0]=4 9471 B16R2.10947 CC(Cc1ccccn1)NCCC2CO2 2230a_100000238496_100000732470 [0,1,0,1,0,0|2,0,0]=4 9472 B16R2.10947 CC(Cc1cccnc1)NCCC2CC2 2230a_100011207255_100000694398 [0,1,0,1,0,0|2,0,0]=4 9473 B16R2.10947 CC(Cc1cccnc1)NCCC2CC2 270004a_100000764129_100015187140 [0,1,0,1,0,0|2,0,0]=4 9474 B16R2.10947 CC(Cc1cccnc1)NCCC2CO2 2230a_100011207255_100000732470 [0,1,0,1,0,0|2,0,0]=4 9475 B16R2.10947 CC(Cc1ccncc1)NCCC2CC2 270004a_100000764129_100000238508 [0,1,0,1,0,0|2,0,0]=4 9476 B16R2.10947 OC(CNCC1CC1)Cc2ccccc2 2230a_100000752270_100000742324 [0,1,0,1,0,0|2,0,0]=4 9477 B16R2.10947 OC(CNCC1CC1)Cc2ccccc2 269862a_100000752270_100000741477 [0,1,0,1,0,0|2,0,0]=4 9478 B16R2.10947 OC(CNCC1CO1)Cc2ccccc2 2230a_100000752270_100011216344 [0,1,0,1,0,0|2,0,0]=4 9479 B16R2.10947 O[C@H](CNCC1CC1)Cc2ccccc2 2230a_100000735609_100000729385 [0,1,0,1,0,0|2,0,0]=4 9480 B16R2.10947 O[C@H](CNCC1CC1)Cc2ccccc2 34a_100000735609_100000729385 [0,1,0,1,0,0|2,0,0]=4 9481 B16R2.10948 CC(CNC1CCC1)Oc2ccccc2 270004a_100000755676_100000241760 [0,1,0,1,0,0|2,0,0]=4 9482 B16R2.10948 CC(CNC1CCC1)Oc2ccccc2 34a_100000755676_100000749161 [0,1,0,1,0,0|2,0,0]=4 9483 B16R2.10948 CC(COC1CCC1)Cc2ccccc2 34a_100012125295_100000749161 [0,1,0,1,0,0|2,0,0]=4 9484 B16R2.10948 CC(C[n+]1ccccc1)NCC2CCC2 270004a_100000738700_100000034229 [0,1,0,1,0,0|2,0,0]=4 9485 B16R2.10948 CC(C[n+]1ccccc1)NCC2COC2 270004a_100015281925_100000034229 [0,1,0,1,0,0|2,0,0]=4 9486 B16R2.10948 CC(C[n+]1ccccc1)NC[C@@H]2CCO2 270004a_100020831831_100000034229 [0,1,0,1,0,0|2,0,0]=4 9487 B16R2.10948 CC(Cc1ccccc1)NCC2CCC2 34a_100000738700_200011218536 [0,1,0,1,0,0|1,0,0]=3 9488 B16R2.10948 CC(Cc1ccccc1)NCC2COC2 34a_100015281925_200011218536 [0,1,0,1,0,0|1,0,0]=3 9489 B16R2.10948 CC(Cc1ccccc1)NC[C@@H]2CCO2 34a_100020831831_200011218536 [0,1,0,1,0,0|1,0,0]=3 9490 B16R2.10948 CC(Cc1ccccc1)OCC2CCC2 34a_100000748627_100000763275 [0,1,0,1,0,0|2,0,0]=4 9491 B16R2.10948 CC(Cc1ccccc1)OCC2CCC2 34a_100000760304_200011218536 [0,1,0,1,0,0|2,0,0]=4 9492 B16R2.10948 CC(Cc1ccccc1)OCC2CCC2 7a_100000748627_100000763275 [0,1,0,1,0,0|2,0,0]=4 9493 B16R2.10948 CC(Cc1ccccc1)OCC2CCO2 34a_100000039022_200011218536 [0,1,0,1,0,0|2,0,0]=4 9494 B16R2.10948 CC(Cc1ccccc1)OCC2CCO2 34a_100000748627_100000103362 [0,1,0,1,0,0|2,0,0]=4 9495 B16R2.10948 CC(Cc1ccccc1)OCC2CCO2 7a_100000748627_100000103362 [0,1,0,1,0,0|2,0,0]=4 9496 B16R2.10948 CC(Cc1ccccc1)OCC2CNC2 34a_100016987283_200011218536 [0,1,0,1,0,0|2,0,0]=4 9497 B16R2.10948 CC(Cc1ccccc1)OCC2COC2 34a_100000060846_200011218536 [0,1,0,1,0,0|2,0,0]=4 9498 B16R2.10948 CC(Cc1ccccc1)OCC2COC2 34a_100000748627_100010264016 [0,1,0,1,0,0|2,0,0]=4 9499 B16R2.10948 CC(Cc1ccccc1)OCC2COC2 7a_100000748627_100010264016 [0,1,0,1,0,0|2,0,0]=4 9500 B16R2.10948 CC(Cc1ccccc1)SCC2CCC2 62a_100000763275_200011218536 [0,1,0,1,0,0|2,0,0]=4 9501 B16R2.10948 CC(Cc1ccccc1)SCC2CCC2 62a_200011218536_100000763275 [0,1,0,1,0,0|2,0,0]=4 9502 B16R2.10948 CC(Cc1ccccc1)SCC2CCO2 62a_100000103362_200011218536 [0,1,0,1,0,0|2,0,0]=4 9503 B16R2.10948 CC(Cc1ccccc1)SCC2CCO2 62a_200011218536_100000103362 [0,1,0,1,0,0|2,0,0]=4 9504 B16R2.10948 CC(Cc1ccccc1)SCC2COC2 62a_100010264016_200011218536 [0,1,0,1,0,0|2,0,0]=4 9505 B16R2.10948 CC(Cc1ccccc1)SCC2COC2 62a_200011218536_100010264016 [0,1,0,1,0,0|2,0,0]=4 9506 B16R2.10948 CC(Cc1ccccn1)NCC2CCC2 2230a_100000238496_100000763275 [0,1,0,1,0,0|2,0,0]=4 9507 B16R2.10948 CC(Cc1ccccn1)NCC2CCC2 269862a_100000238496_100000753134 [0,1,0,1,0,0|2,0,0]=4 9508 B16R2.10948 CC(Cc1ccccn1)NCC2CCO2 2230a_100000238496_100000103362 [0,1,0,1,0,0|2,0,0]=4 9509 B16R2.10948 CC(Cc1ccccn1)NCC2COC2 2230a_100000238496_100010264016 [0,1,0,1,0,0|2,0,0]=4 9510 B16R2.10948 CC(Cc1cccnc1)NCC2CCC2 2230a_100011207255_100000763275 [0,1,0,1,0,0|2,0,0]=4 9511 B16R2.10948 CC(Cc1cccnc1)NCC2CCC2 269862a_100011207255_100000753134 [0,1,0,1,0,0|2,0,0]=4 9512 B16R2.10948 CC(Cc1cccnc1)NCC2CCC2 270004a_100000738700_100015187140 [0,1,0,1,0,0|2,0,0]=4 9513 B16R2.10948 CC(Cc1cccnc1)NCC2CCO2 2230a_100011207255_100000103362 [0,1,0,1,0,0|2,0,0]=4 9514 B16R2.10948 CC(Cc1cccnc1)NCC2COC2 2230a_100011207255_100010264016 [0,1,0,1,0,0|2,0,0]=4 9515 B16R2.10948 CC(Cc1cccnc1)NCC2COC2 270004a_100015281925_100015187140 [0,1,0,1,0,0|2,0,0]=4 9516 B16R2.10948 CC(Cc1cccnc1)NC[C@@H]2CCO2 270004a_100020831831_100015187140 [0,1,0,1,0,0|2,0,0]=4 9517 B16R2.10948 CC(Cc1ccncc1)NCC2CCC2 270004a_100000738700_100000238508 [0,1,0,1,0,0|2,0,0]=4 9518 B16R2.10948 CC(Cc1ccncc1)NCC2COC2 270004a_100015281925_100000238508 [0,1,0,1,0,0|2,0,0]=4 9519 B16R2.10948 CC(Cc1ccncc1)NC[C@@H]2CCO2 270004a_100020831831_100000238508 [0,1,0,1,0,0|2,0,0]=4 9520 B16R2.10948 OC(CNC1CCC1)Cc2ccccc2 270004a_100000752270_100000241760 [0,1,0,1,0,0|2,0,0]=4 9521 B16R2.10948 O[C@H](CNC1CCC1)Cc2ccccc2 2230a_100000749019_100000729385 [0,1,0,1,0,0|2,0,0]=4 9522 B16R2.10948 O[C@H](CNC1CCC1)Cc2ccccc2 34a_100000749019_100000729385 [0,1,0,1,0,0|2,0,0]=4 9523 B16R2.283 CC1CCN1C(C)C(=O)c2ccccc2 269982a_100000755817_100000239700 [0,1,0,1,0,0|1,0,1]=4 9524 B16R2.2272 C#CCCNC1Cc2ccccc2C1O 34a_100000755551_100000211646 [0,1,0,1,0,0|1,0,1]=4 9525 B16R2.2272 C=CCCNC1Cc2ccccc2C1O 2230a_100015191253_100000211646 [0,1,0,1,0,0|1,0,1]=4 9526 B16R2.2272 CCCCNC1Cc2ccccc2C1O 2230a_100000102301_100000211646 [0,1,0,1,0,0|1,0,0]=3 9527 B16R2.2272 CCCCOC1Cc2ccccc2C1O 34a_100000210227_100000211646 [0,1,0,1,0,0|2,0,0]=4 9528 B16R2.2272 CCCCSC1Cc2ccccc2C1O 62a_100000210211_100000211646 [0,1,0,1,0,0|2,0,0]=4 9529 B16R2.2272 CCCCSC1Cc2ccccc2C1O 62a_100000211646_100000210210 [0,1,0,1,0,0|2,0,0]=4 9530 B16R2.2272 COCCNC1Cc2ccccc2C1O 2230a_100000209980_100000211646 [0,1,0,1,0,0|2,0,0]=4 9531 B16R2.2272 CSCCNC1Cc2ccccc2C1O 2230a_100020590264_100000211646 [0,1,0,1,0,0|2,0,0]=4 9532 B16R2.2272 NCCCOC1Cc2ccccc2C1O 34a_100000182051_100000211646 [0,1,0,1,0,0|2,0,0]=4 9533 B16R2.2272 OC1c2ccccc2CC1NCCCF 2230a_100015189416_100000211646 [0,1,0,1,0,0|0,1,0]=3 9534 B16R2.2272 OC1c2ccccc2CC1NCCCF 34a_100015189416_100000211646 [0,1,0,1,0,0|0,1,0]=3 9535 B16R2.2272 OC1c2ccccc2CC1OCCCBr 34a_100011217188_100000211646 [0,1,0,1,0,0|1,1,0]=4 9536 B16R2.2272 OC1c2ccccc2CC1OCCCCl 34a_100000230001_100000211646 [0,1,0,1,0,0|1,0,0]=3 9537 B16R2.2272 OC1c2ccccc2CC1OCCCF 34a_100000759539_100000211646 [0,1,0,1,0,0|1,1,0]=4 9538 B16R2.2272 OC1c2ccccc2CC1SCCCF 62a_100000211646_100011934791 [0,1,0,1,0,0|1,1,0]=4 9539 B16R2.2272 OC1c2ccccc2CC1SCCCF 62a_100011934791_100000211646 [0,1,0,1,0,0|1,1,0]=4 9540 B16R2.2272 OCCCSC1Cc2ccccc2C1O 62a_100000211646_100011215043 [0,1,0,1,0,0|2,0,0]=4 9541 B16R2.2272 OCCCSC1Cc2ccccc2C1O 62a_100011215043_100000211646 [0,1,0,1,0,0|2,0,0]=4 9542 B16R2.5858 CC(N[C@@H]1C[C@@H]1F)C(=O)c2ccccc2 2230a_100015190264_100000239700 [0,1,0,1,0,0|0,1,1]=4 9543 B16R2.5858 CC(N[C@@H]1C[C@H]1F)C(=O)c2ccccc2 2230a_100025746932_100000239700 [0,1,0,1,0,0|0,1,1]=4 9544 B16R2.6780 CC(C(=O)c1ccccc1)N2CCCC2 2230a_100000188435_100000239700 [0,1,0,1,0,0|1,0,1]=4 9545 B16R2.6780 CC(C(=O)c1ccccc1)N2CCCC2 269982a_100000188435_100000239700 [0,1,0,1,0,0|1,0,1]=4 9546 B16R2.27760 CC(NC1CCC1)C(=O)c2ccccc2 2230a_100000749019_100000239700 [0,1,0,1,0,0|1,0,1]=4 9547 B16R2.27760 C[C@H](OC1CCC1)[C@@H](N)c2ccccc2 34a_100134616770_100000749161 [0,1,0,1,0,0|2,0,0]=4 9548 B16R2.27783 CC(NCC1CC1)C(=O)c2ccccc2 2230a_100000735609_100000239700 [0,1,0,1,0,0|1,0,1]=4 9549 B16R2.27783 C[C@H](OCC1CC1)[C@@H](N)c2ccccc2 34a_100134616770_100000742324 [0,1,0,1,0,0|2,0,0]=4 9550 B16R2.27783 C[C@H](OCC1CO1)[C@@H](N)c2ccccc2 34a_100134616770_102125554688 [0,1,0,1,0,0|2,0,0]=4 9551 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCCC2 270004a_100000188435_100000691760 [0,1,0,1,0,0|1,0,0]=3 9552 B16R2.133 CC(Cc1ccc(cc1)Br)N2CCSC2 270004a_100011215254_100000691760 [0,1,0,1,0,0|2,0,0]=4 9553 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCCC2 270004a_100000188435_100000747806 [0,1,0,1,0,0|1,0,0]=3 9554 B16R2.133 CC(Cc1ccc(cc1)Cl)N2CCSC2 270004a_100011215254_100000747806 [0,1,0,1,0,0|2,0,0]=4 9555 B16R2.133 CC(Cc1ccc(cc1)F)N2CCCC2 270004a_100000188435_100000745281 [0,1,0,1,0,0|1,0,0]=3 9556 B16R2.133 CC(Cc1ccc(cc1)F)N2CCSC2 270004a_100011215254_100000745281 [0,1,0,1,0,0|2,0,0]=4 9557 B16R2.133 CC(Cc1ccc(cc1)O)N2CCCC2 270004a_100000188435_100011218180 [0,1,0,1,0,0|1,0,0]=3 9558 B16R2.133 CC(Cc1ccc(cc1)O)N2CCSC2 270004a_100011215254_100011218180 [0,1,0,1,0,0|2,0,0]=4 9559 B16R2.133 Cc1ccc(cc1)CC(C)N2CCCC2 270004a_100000188435_100000751045 [0,1,0,1,0,0|1,0,0]=3 9560 B16R2.133 Cc1ccc(cc1)CC(C)N2CCSC2 270004a_100011215254_100000751045 [0,1,0,1,0,0|2,0,0]=4 9561 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000688953 [0,1,0,1,0,0|1,0,1]=4 9562 B16R2.532 C#CCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000688953 [0,1,0,1,0,0|1,0,1]=4 9563 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000688953 [0,1,0,1,0,0|1,0,1]=4 9564 B16R2.532 C#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000688953 [0,1,0,1,0,0|1,0,1]=4 9565 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000754431 [0,1,0,1,0,0|1,0,1]=4 9566 B16R2.532 C=CCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000754431 [0,1,0,1,0,0|1,0,1]=4 9567 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000754431 [0,1,0,1,0,0|1,0,1]=4 9568 B16R2.532 C=CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000754431 [0,1,0,1,0,0|1,0,1]=4 9569 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210211 [0,1,0,1,0,0|1,0,0]=3 9570 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210210 [0,1,0,1,0,0|1,0,0]=3 9571 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210211 [0,1,0,1,0,0|1,0,0]=3 9572 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210210 [0,1,0,1,0,0|1,0,0]=3 9573 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011201679 [0,1,0,1,0,0|2,0,0]=4 9574 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011201679 [0,1,0,1,0,0|2,0,0]=4 9575 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011201679 [0,1,0,1,0,0|2,0,0]=4 9576 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011201679 [0,1,0,1,0,0|2,0,0]=4 9577 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000751147 [0,1,0,1,0,0|2,0,0]=4 9578 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000212216 [0,1,0,1,0,0|2,0,0]=4 9579 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000751147 [0,1,0,1,0,0|2,0,0]=4 9580 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000212216 [0,1,0,1,0,0|2,0,0]=4 9581 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011934791 [0,1,0,1,0,0|0,1,0]=3 9582 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011934791 [0,1,0,1,0,0|0,1,0]=3 9583 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011934791 [0,1,0,1,0,0|0,1,0]=3 9584 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011934791 [0,1,0,1,0,0|0,1,0]=3 9585 B16R2.532 N#CCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011215226 [0,1,0,1,0,0|1,0,1]=4 9586 B16R2.532 N#CCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011215226 [0,1,0,1,0,0|1,0,1]=4 9587 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000230001 [0,1,0,1,0,0|1,0,0]=3 9588 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000230001 [0,1,0,1,0,0|1,0,0]=3 9589 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000230001 [0,1,0,1,0,0|1,0,0]=3 9590 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000230001 [0,1,0,1,0,0|1,0,0]=3 9591 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000688953 [0,1,0,1,0,0|1,0,1]=4 9592 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000688953 [0,1,0,1,0,0|1,0,1]=4 9593 B16R2.2435 C#CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000688953 [0,1,0,1,0,0|1,0,1]=4 9594 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000754431 [0,1,0,1,0,0|1,0,1]=4 9595 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 270004a_100015191253_100010185598 [0,1,0,1,0,0|1,0,1]=4 9596 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000754431 [0,1,0,1,0,0|1,0,1]=4 9597 B16R2.2435 C=CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000754431 [0,1,0,1,0,0|1,0,1]=4 9598 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000210211 [0,1,0,1,0,0|1,0,0]=3 9599 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 270004a_100000102301_100010185598 [0,1,0,1,0,0|1,0,0]=3 9600 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000210210 [0,1,0,1,0,0|1,0,0]=3 9601 B16R2.2435 CCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000210211 [0,1,0,1,0,0|1,0,0]=3 9602 B16R2.2435 CCCCOC1Cc2ccc(cc2C1)Br 34a_100010161096_100000210210 [0,1,0,1,0,0|2,0,0]=4 9603 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011201679 [0,1,0,1,0,0|2,0,0]=4 9604 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 270004a_100000209980_100010185598 [0,1,0,1,0,0|2,0,0]=4 9605 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100011201679 [0,1,0,1,0,0|2,0,0]=4 9606 B16R2.2435 COCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011201679 [0,1,0,1,0,0|2,0,0]=4 9607 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000751147 [0,1,0,1,0,0|2,0,0]=4 9608 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 270004a_100020590264_100010185598 [0,1,0,1,0,0|2,0,0]=4 9609 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000212216 [0,1,0,1,0,0|2,0,0]=4 9610 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000751147 [0,1,0,1,0,0|2,0,0]=4 9611 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011934791 [0,1,0,1,0,0|0,1,0]=3 9612 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 270004a_100015189416_100010185598 [0,1,0,1,0,0|0,1,0]=3 9613 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100011934791 [0,1,0,1,0,0|0,1,0]=3 9614 B16R2.2435 FCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011934791 [0,1,0,1,0,0|0,1,0]=3 9615 B16R2.2435 FCCCOC1Cc2ccc(cc2C1)Br 34a_100010161096_100011934791 [0,1,0,1,0,0|1,1,0]=4 9616 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100011215226 [0,1,0,1,0,0|1,0,1]=4 9617 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br 270004a_100000720768_100010185598 [0,1,0,1,0,0|1,0,1]=4 9618 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100011215226 [0,1,0,1,0,0|1,0,1]=4 9619 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000230001 [0,1,0,1,0,0|1,0,0]=3 9620 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 270004a_100000182051_100010185598 [0,1,0,1,0,0|1,0,0]=3 9621 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000230001 [0,1,0,1,0,0|1,0,0]=3 9622 B16R2.2435 OCCCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000230001 [0,1,0,1,0,0|1,0,0]=3 9623 B16R2.2435 OCCCOC1Cc2ccc(cc2C1)Br 34a_100010161096_100000230001 [0,1,0,1,0,0|2,0,0]=4 9624 B16R2.33345 CC(Cc1ccc(cc1)Br)NCC2CC2 270004a_100000735609_100000691760 [0,1,0,1,0,0|1,0,0]=3 9625 B16R2.33345 CC(Cc1ccc(cc1)Cl)NCC2CC2 270004a_100000735609_100000747806 [0,1,0,1,0,0|1,0,0]=3 9626 B16R2.33345 CC(Cc1ccc(cc1)F)NCC2CC2 270004a_100000735609_100000745281 [0,1,0,1,0,0|1,0,0]=3 9627 B16R2.33345 CC(Cc1ccc(cc1)F)OCC2CC2 34a_100011351027_100000742324 [0,1,0,1,0,0|2,0,0]=4 9628 B16R2.33345 CC(Cc1ccc(cc1)F)OCC2CC2 7a_100011351027_100000742324 [0,1,0,1,0,0|2,0,0]=4 9629 B16R2.33345 CC(Cc1ccc(cc1)F)OCC2CO2 34a_100011351027_102125554688 [0,1,0,1,0,0|2,0,0]=4 9630 B16R2.33345 CC(Cc1ccc(cc1)F)OCC2CO2 7a_100011351027_102125554688 [0,1,0,1,0,0|2,0,0]=4 9631 B16R2.33345 CC(Cc1ccc(cc1)F)OCC2CS2 7a_100011351027_100000031435 [0,1,0,1,0,0|2,0,0]=4 9632 B16R2.33345 CC(Cc1ccc(cc1)F)OC[C@@H]2CO2 7a_100011351027_100000745022 [0,1,0,1,0,0|2,0,0]=4 9633 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 2230a_100102634573_100000742324 [0,1,0,1,0,0|1,0,0]=3 9634 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 269862a_100102634573_100000741477 [0,1,0,1,0,0|1,0,0]=3 9635 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 270004a_100000735609_100011218180 [0,1,0,1,0,0|1,0,0]=3 9636 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 34a_100102634573_100000742324 [0,1,0,1,0,0|1,0,0]=3 9637 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CO2 2230a_100102634573_100011216344 [0,1,0,1,0,0|1,0,0]=3 9638 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CO2 34a_100102634573_102125554688 [0,1,0,1,0,0|1,0,0]=3 9639 B16R2.33345 Cc1ccc(cc1)CC(C)NCC2CC2 270004a_100000735609_100000751045 [0,1,0,1,0,0|1,0,0]=3 9640 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2COC2 270004a_100016991112_100000691760 [0,1,0,1,0,0|2,0,0]=4 9641 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2CSC2 270004a_100016994217_100000691760 [0,1,0,1,0,0|2,0,0]=4 9642 B16R2.33353 CC(Cc1ccc(cc1)Cl)NC2COC2 270004a_100016991112_100000747806 [0,1,0,1,0,0|2,0,0]=4 9643 B16R2.33353 CC(Cc1ccc(cc1)Cl)NC2CSC2 270004a_100016994217_100000747806 [0,1,0,1,0,0|2,0,0]=4 9644 B16R2.33353 CC(Cc1ccc(cc1)F)NC2COC2 270004a_100016991112_100000745281 [0,1,0,1,0,0|2,0,0]=4 9645 B16R2.33353 CC(Cc1ccc(cc1)F)NC2CSC2 270004a_100016994217_100000745281 [0,1,0,1,0,0|2,0,0]=4 9646 B16R2.33353 CC(Cc1ccc(cc1)F)OC2CCC2 34a_100011351027_100000749161 [0,1,0,1,0,0|2,0,0]=4 9647 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CCC2 270004a_100102634573_100000241760 [0,1,0,1,0,0|1,0,0]=3 9648 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CCC2 34a_100102634573_100000749161 [0,1,0,1,0,0|1,0,0]=3 9649 B16R2.33353 CC(Cc1ccc(cc1)O)NC2COC2 270004a_100016991112_100011218180 [0,1,0,1,0,0|2,0,0]=4 9650 B16R2.33353 CC(Cc1ccc(cc1)O)NC2COC2 34a_100102634573_100009818527 [0,1,0,1,0,0|2,0,0]=4 9651 B16R2.33353 CC(Cc1ccc(cc1)O)NC2CSC2 270004a_100016994217_100011218180 [0,1,0,1,0,0|2,0,0]=4 9652 B16R2.33353 Cc1ccc(cc1)CC(C)NC2COC2 270004a_100016991112_100000751045 [0,1,0,1,0,0|2,0,0]=4 9653 B16R2.33353 Cc1ccc(cc1)CC(C)NC2CSC2 270004a_100016994217_100000751045 [0,1,0,1,0,0|2,0,0]=4 9654 B16R2.253 CC(Cc1cccc(c1)Br)N2CCCC2 270004a_100000188435_100000689217 [0,1,0,1,0,0|1,0,0]=3 9655 B16R2.253 CC(Cc1cccc(c1)Br)N2CCSC2 270004a_100011215254_100000689217 [0,1,0,1,0,0|2,0,0]=4 9656 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCCC2 270004a_100000188435_100000727212 [0,1,0,1,0,0|1,0,0]=3 9657 B16R2.253 CC(Cc1cccc(c1)Cl)N2CCSC2 270004a_100011215254_100000727212 [0,1,0,1,0,0|2,0,0]=4 9658 B16R2.253 CC(Cc1cccc(c1)F)N2CCCC2 270004a_100000188435_100000687711 [0,1,0,1,0,0|1,0,0]=3 9659 B16R2.253 CC(Cc1cccc(c1)F)N2CCSC2 270004a_100011215254_100000687711 [0,1,0,1,0,0|2,0,0]=4 9660 B16R2.253 Cc1ccnc(c1)CC(C)N2CCCC2 270004a_100000188435_200015184229 [0,1,0,1,0,0|2,0,0]=4 9661 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)Br 270004a_100015191253_100010205903 [0,1,0,1,0,0|1,0,1]=4 9662 B16R2.2440 C=CCCNC1Cc2cccc(c2C1)C 270004a_100015191253_100010637320 [0,1,0,1,0,0|1,0,1]=4 9663 B16R2.2440 CCCCNC1Cc2cccc(c2C1)Br 270004a_100000102301_100010205903 [0,1,0,1,0,0|1,0,0]=3 9664 B16R2.2440 CCCCNC1Cc2cccc(c2C1)C 270004a_100000102301_100010637320 [0,1,0,1,0,0|1,0,0]=3 9665 B16R2.2440 CCCCOC1Cc2cccc(c2C1)Br 34a_100010752598_100000210210 [0,1,0,1,0,0|2,0,0]=4 9666 B16R2.2440 COCCNC1Cc2cccc(c2C1)Br 270004a_100000209980_100010205903 [0,1,0,1,0,0|2,0,0]=4 9667 B16R2.2440 COCCNC1Cc2cccc(c2C1)C 270004a_100000209980_100010637320 [0,1,0,1,0,0|2,0,0]=4 9668 B16R2.2440 CSCCNC1Cc2cccc(c2C1)Br 270004a_100020590264_100010205903 [0,1,0,1,0,0|2,0,0]=4 9669 B16R2.2440 CSCCNC1Cc2cccc(c2C1)C 270004a_100020590264_100010637320 [0,1,0,1,0,0|2,0,0]=4 9670 B16R2.2440 Cc1cccc2c1CC(C2)NCCC#N 270004a_100000720768_100010637320 [0,1,0,1,0,0|1,0,1]=4 9671 B16R2.2440 Cc1cccc2c1CC(C2)NCCCF 270004a_100015189416_100010637320 [0,1,0,1,0,0|0,1,0]=3 9672 B16R2.2440 Cc1cccc2c1CC(C2)NCCCO 270004a_100000182051_100010637320 [0,1,0,1,0,0|1,0,0]=3 9673 B16R2.2440 FCCCNC1Cc2cccc(c2C1)Br 270004a_100015189416_100010205903 [0,1,0,1,0,0|0,1,0]=3 9674 B16R2.2440 FCCCOC1Cc2cccc(c2C1)Br 34a_100010752598_100011934791 [0,1,0,1,0,0|1,1,0]=4 9675 B16R2.2440 N#CCCNC1Cc2cccc(c2C1)Br 270004a_100000720768_100010205903 [0,1,0,1,0,0|1,0,1]=4 9676 B16R2.2440 OCCCNC1Cc2cccc(c2C1)Br 270004a_100000182051_100010205903 [0,1,0,1,0,0|1,0,0]=3 9677 B16R2.2440 OCCCOC1Cc2cccc(c2C1)Br 34a_100010752598_100000230001 [0,1,0,1,0,0|2,0,0]=4 9678 B16R2.80725 CC(Cc1cccc(c1)Br)NC2COC2 270004a_100016991112_100000689217 [0,1,0,1,0,0|2,0,0]=4 9679 B16R2.80725 CC(Cc1cccc(c1)Br)NC2CSC2 270004a_100016994217_100000689217 [0,1,0,1,0,0|2,0,0]=4 9680 B16R2.80725 CC(Cc1cccc(c1)Cl)NC2COC2 270004a_100016991112_100000727212 [0,1,0,1,0,0|2,0,0]=4 9681 B16R2.80725 CC(Cc1cccc(c1)Cl)NC2CSC2 270004a_100016994217_100000727212 [0,1,0,1,0,0|2,0,0]=4 9682 B16R2.80725 CC(Cc1cccc(c1)F)NC2COC2 270004a_100016991112_100000687711 [0,1,0,1,0,0|2,0,0]=4 9683 B16R2.80725 CC(Cc1cccc(c1)F)NC2CSC2 270004a_100016994217_100000687711 [0,1,0,1,0,0|2,0,0]=4 9684 B16R2.136607 CC(Cc1cccc(c1)Br)NCC2CC2 270004a_100000735609_100000689217 [0,1,0,1,0,0|1,0,0]=3 9685 B16R2.136607 CC(Cc1cccc(c1)Cl)NCC2CC2 270004a_100000735609_100000727212 [0,1,0,1,0,0|1,0,0]=3 9686 B16R2.136607 CC(Cc1cccc(c1)F)NCC2CC2 270004a_100000735609_100000687711 [0,1,0,1,0,0|1,0,0]=3 9687 B16R2.136607 Cc1ccnc(c1)CC(C)NCC2CC2 270004a_100000735609_200015184229 [0,1,0,1,0,0|2,0,0]=4 9688 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 269982a_100010363649_200011218536 [0,1,0,1,0,0|0,1,0]=3 9689 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CF 34a_100010363649_200011218536 [0,1,0,1,0,0|0,1,0]=3 9690 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 269982a_100016987283_200011218536 [0,1,0,1,0,0|1,0,0]=3 9691 B16R2.1895 CC(Cc1ccccc1)N2CC(C2)CO 34a_100016987283_200011218536 [0,1,0,1,0,0|1,0,0]=3 9692 B16R2.1895 CCC1CN(C1)C(C)C[n+]2ccccc2 270004a_100015205115_100000034229 [0,1,0,1,0,0|2,0,0]=4 9693 B16R2.1895 CCC1CN(C1)C(C)Cc2ccccc2 269982a_100015205115_200011218536 [0,1,0,1,0,0|1,0,0]=3 9694 B16R2.1895 CCC1CN(C1)C(C)Cc2cccnc2 270004a_100015205115_100015187140 [0,1,0,1,0,0|2,0,0]=4 9695 B16R2.1895 CCC1CN(C1)C(C)Cc2ccncc2 270004a_100015205115_100000238508 [0,1,0,1,0,0|2,0,0]=4 9696 B16R2.1895 COC1CN(C1)C(C)Cc2ccccc2 269982a_100000755009_200011218536 [0,1,0,1,0,0|2,0,0]=4 9697 B16R2.1895 CSC1CN(C1)C(C)Cc2ccccc2 269982a_100016990038_200011218536 [0,1,0,1,0,0|2,0,0]=4 9698 B16R2.2114 CCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210211 [0,1,0,1,0,0|2,0,0]=4 9699 B16R2.2114 O=C(CCCF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011934791 [0,1,0,1,0,0|1,1,0]=4 9700 B16R2.2114 O=C(CCCO)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215043 [0,1,0,1,0,0|2,0,0]=4 9701 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000688953 [0,1,0,1,0,0|1,0,1]=4 9702 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000730999 [0,1,0,1,0,0|1,0,1]=4 9703 B16R2.2128 C#CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000688953 [0,1,0,1,0,0|1,0,1]=4 9704 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 9705 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 9706 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 269982a_100020639649_100000753484 [0,1,0,1,0,0|1,0,1]=4 9707 B16R2.2128 C=CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000754431 [0,1,0,1,0,0|1,0,1]=4 9708 B16R2.2128 CCCCC(=O)C1Cc2ccccc2C1 1458a_100000210183_100000753484 [0,1,0,1,0,0|2,0,0]=4 9709 B16R2.2128 CCCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000210211 [0,1,0,1,0,0|2,0,0]=4 9710 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210211 [0,1,0,1,0,0|1,0,0]=3 9711 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100000207549_100000753484 [0,1,0,1,0,0|1,0,0]=3 9712 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210211 [0,1,0,1,0,0|1,0,0]=3 9713 B16R2.2128 CCCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210210 [0,1,0,1,0,0|1,0,0]=3 9714 B16R2.2128 CCOCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000739092 [0,1,0,1,0,0|2,0,0]=4 9715 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 2230a_100016990990_100011215226 [0,1,0,1,0,0|1,0,1]=4 9716 B16R2.2128 CN(CCC#N)C1Cc2ccccc2C1 269982a_100016990990_100011215226 [0,1,0,1,0,0|1,0,1]=4 9717 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 2230a_100016990990_100011934791 [0,1,0,1,0,0|0,1,0]=3 9718 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 269982a_100016990990_100011934791 [0,1,0,1,0,0|0,1,0]=3 9719 B16R2.2128 CN(CCCF)C1Cc2ccccc2C1 34a_100016990990_100011934791 [0,1,0,1,0,0|0,1,0]=3 9720 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 2230a_100016990990_100000230001 [0,1,0,1,0,0|1,0,0]=3 9721 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100000213112_100000753484 [0,1,0,1,0,0|1,0,0]=3 9722 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 269982a_100016990990_100011215043 [0,1,0,1,0,0|1,0,0]=3 9723 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 34a_100016990990_100000230001 [0,1,0,1,0,0|1,0,0]=3 9724 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100011201679 [0,1,0,1,0,0|2,0,0]=4 9725 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100000743101_100000753484 [0,1,0,1,0,0|2,0,0]=4 9726 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000233755 [0,1,0,1,0,0|2,0,0]=4 9727 B16R2.2128 COCCN(C)C1Cc2ccccc2C1 34a_100016990990_100011201679 [0,1,0,1,0,0|2,0,0]=4 9728 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000751147 [0,1,0,1,0,0|2,0,0]=4 9729 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100000686725_100000753484 [0,1,0,1,0,0|2,0,0]=4 9730 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000212216 [0,1,0,1,0,0|2,0,0]=4 9731 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000212216 [0,1,0,1,0,0|2,0,0]=4 9732 B16R2.2128 O=C(CCCF)C1Cc2ccccc2C1 1458a_100000685393_100011934791 [0,1,0,1,0,0|1,1,0]=4 9733 B16R2.2128 O=C(CCCO)C1Cc2ccccc2C1 1458a_100000685393_100011215043 [0,1,0,1,0,0|2,0,0]=4 9734 B16R2.2843 CC(C[n+]1ccccc1)N2CCC(C2)O 270004a_100011215560_100000034229 [0,1,0,1,0,0|2,0,0]=4 9735 B16R2.2843 CC(C[n+]1ccccc1)N2CC[C@@H](C2)F 270004a_100015203821_100000034229 [0,1,0,1,0,0|1,1,0]=4 9736 B16R2.2843 CC(C[n+]1ccccc1)N2CC[C@H](C2)C 270004a_100016987628_100000034229 [0,1,0,1,0,0|2,0,0]=4 9737 B16R2.2843 CC(Cc1ccccc1)N2CCC(C2)O 269982a_100011215560_200011218536 [0,1,0,1,0,0|1,0,0]=3 9738 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 269982a_100015203821_200011218536 [0,1,0,1,0,0|0,1,0]=3 9739 B16R2.2843 CC(Cc1ccccc1)N2CC[C@@H](C2)F 34a_100015203821_200011218536 [0,1,0,1,0,0|0,1,0]=3 9740 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 269982a_100016987628_200011218536 [0,1,0,1,0,0|1,0,0]=3 9741 B16R2.2843 CC(Cc1ccccc1)N2CC[C@H](C2)C 34a_100016987628_200011218536 [0,1,0,1,0,0|1,0,0]=3 9742 B16R2.2843 CC(Cc1cccnc1)N2CCC(C2)O 270004a_100011215560_100015187140 [0,1,0,1,0,0|2,0,0]=4 9743 B16R2.2843 CC(Cc1cccnc1)N2CC[C@@H](C2)F 270004a_100015203821_100015187140 [0,1,0,1,0,0|1,1,0]=4 9744 B16R2.2843 CC(Cc1cccnc1)N2CC[C@H](C2)C 270004a_100016987628_100015187140 [0,1,0,1,0,0|2,0,0]=4 9745 B16R2.2843 CC(Cc1ccncc1)N2CCC(C2)O 270004a_100011215560_100000238508 [0,1,0,1,0,0|2,0,0]=4 9746 B16R2.2843 CC(Cc1ccncc1)N2CC[C@@H](C2)F 270004a_100015203821_100000238508 [0,1,0,1,0,0|1,1,0]=4 9747 B16R2.2843 CC(Cc1ccncc1)N2CC[C@H](C2)C 270004a_100016987628_100000238508 [0,1,0,1,0,0|2,0,0]=4 9748 B16R2.3188 CC(Cc1ccccc1)C(=O)C2CC2C 1458a_100000211227_200011218536 [0,1,0,1,0,0|2,0,0]=4 9749 B16R2.3188 CC(Cc1ccccc1)C(=O)[C@@H]2C[C@@H]2F 1458a_100015396687_200011218536 [0,1,0,1,0,0|1,1,0]=4 9750 B16R2.27766 CC(C[n+]1ccccc1)N(C)CC2CC2 270004a_100000741881_100000034229 [0,1,0,1,0,0|2,0,0]=4 9751 B16R2.27766 CC(Cc1ccccc1)C(=O)CC2CC2 1458a_100000738066_200011218536 [0,1,0,1,0,0|2,0,0]=4 9752 B16R2.27766 CC(Cc1ccccc1)C(=O)CC2CC2 1458a_100000754839_100000742324 [0,1,0,1,0,0|2,0,0]=4 9753 B16R2.27766 CC(Cc1ccccc1)C(=O)CC2CO2 1458a_100000754839_100011216344 [0,1,0,1,0,0|2,0,0]=4 9754 B16R2.27766 CC(Cc1ccccc1)C(=O)CC2CS2 1458a_100000754839_100000031435 [0,1,0,1,0,0|2,0,0]=4 9755 B16R2.27766 CC(Cc1ccccc1)C(=O)C[C@@H]2CO2 1458a_100000754839_100000745022 [0,1,0,1,0,0|2,0,0]=4 9756 B16R2.27766 CC(Cc1ccccc1)N(C)CC2CC2 269982a_100000741881_200011218536 [0,1,0,1,0,0|1,0,0]=3 9757 B16R2.27766 CC(Cc1ccccn1)N(C)CC2CC2 2230a_200011351704_100000742324 [0,1,0,1,0,0|2,0,0]=4 9758 B16R2.27766 CC(Cc1ccccn1)N(C)CC2CC2 269982a_200011351704_100000756562 [0,1,0,1,0,0|2,0,0]=4 9759 B16R2.27766 CC(Cc1ccccn1)N(C)CC2CO2 2230a_200011351704_100011216344 [0,1,0,1,0,0|2,0,0]=4 9760 B16R2.27766 CC(Cc1ccccn1)N(C)CC2CO2 269982a_200011351704_102125554688 [0,1,0,1,0,0|2,0,0]=4 9761 B16R2.27766 CC(Cc1ccccn1)N(C)CC2CS2 269982a_200011351704_100000031435 [0,1,0,1,0,0|2,0,0]=4 9762 B16R2.27766 CC(Cc1ccccn1)N(C)C[C@@H]2CO2 269982a_200011351704_100000745022 [0,1,0,1,0,0|2,0,0]=4 9763 B16R2.27766 CC(Cc1cccnc1)N(C)CC2CC2 270004a_100000741881_100015187140 [0,1,0,1,0,0|2,0,0]=4 9764 B16R2.27766 CC(Cc1ccncc1)N(C)CC2CC2 270004a_100000741881_100000238508 [0,1,0,1,0,0|2,0,0]=4 9765 B16R2.147215 CC(C[n+]1ccccc1)N(C)C2CCC2 270004a_100000758072_100000034229 [0,1,0,1,0,0|2,0,0]=4 9766 B16R2.147215 CC(Cc1ccccc1)C(=O)C2CCC2 1458a_100000209988_200011218536 [0,1,0,1,0,0|2,0,0]=4 9767 B16R2.147215 CC(Cc1ccccc1)C(=O)C2CCC2 1458a_100000754839_100000749161 [0,1,0,1,0,0|2,0,0]=4 9768 B16R2.147215 CC(Cc1ccccc1)C(=O)C2CCO2 1458a_100000089072_200011218536 [0,1,0,1,0,0|2,0,0]=4 9769 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 269982a_100000758072_200011218536 [0,1,0,1,0,0|1,0,0]=3 9770 B16R2.147215 CC(Cc1ccccc1)N(C)C2CCC2 34a_100000758072_200011218536 [0,1,0,1,0,0|1,0,0]=3 9771 B16R2.147215 CC(Cc1ccccc1)N(C)C2COC2 269982a_100102693430_200011218536 [0,1,0,1,0,0|2,0,0]=4 9772 B16R2.147215 CC(Cc1ccccn1)N(C)C2CCC2 269982a_200011351704_100000749161 [0,1,0,1,0,0|2,0,0]=4 9773 B16R2.147215 CC(Cc1ccccn1)N(C)C2CCC2 270004a_200011351704_100000241760 [0,1,0,1,0,0|2,0,0]=4 9774 B16R2.147215 CC(Cc1cccnc1)N(C)C2CCC2 270004a_100000758072_100015187140 [0,1,0,1,0,0|2,0,0]=4 9775 B16R2.147215 CC(Cc1ccncc1)N(C)C2CCC2 270004a_100000758072_100000238508 [0,1,0,1,0,0|2,0,0]=4 9776 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009813641 [0,1,0,1,0,0|1,0,1]=4 9777 B16R2.725 CC(CC#N)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009813641 [0,1,0,1,0,0|1,0,1]=4 9778 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009893172 [0,1,0,1,0,0|1,0,0]=3 9779 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009893172 [0,1,0,1,0,0|1,0,0]=3 9780 B16R2.725 CC(CCO)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100009893172 [0,1,0,1,0,0|1,0,0]=3 9781 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100000211992 [0,1,0,1,0,0|1,0,1]=4 9782 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100000211992 [0,1,0,1,0,0|1,0,1]=4 9783 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100000211992 [0,1,0,1,0,0|1,0,1]=4 9784 B16R2.725 CCCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100000211992 [0,1,0,1,0,0|1,0,1]=4 9785 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000766640 [0,1,0,1,0,0|1,0,0]=3 9786 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000766640 [0,1,0,1,0,0|1,0,0]=3 9787 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000211909 [0,1,0,1,0,0|1,0,0]=3 9788 B16R2.725 CCCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000766640 [0,1,0,1,0,0|1,0,0]=3 9789 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 9790 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 9791 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000749346 [0,1,0,1,0,0|2,0,0]=4 9792 B16R2.725 COCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000765312 [0,1,0,1,0,0|2,0,0]=4 9793 B16R2.725 CSCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100011216314 [0,1,0,1,0,0|2,0,0]=4 9794 B16R2.725 O=C(CCO)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100011216618 [0,1,0,1,0,0|1,0,1]=4 9795 B16R2.734 CC(CC#N)NC1Cc2ccccc2C1 2230a_100000753258_100009813641 [0,1,0,1,0,0|1,0,1]=4 9796 B16R2.734 CC(CCBr)OC1Cc2ccccc2C1 34a_100012276601_100000753484 [0,1,0,1,0,0|1,1,0]=4 9797 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 2230a_100000753258_100009893172 [0,1,0,1,0,0|1,0,0]=3 9798 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 34a_100000753258_100009893172 [0,1,0,1,0,0|1,0,0]=3 9799 B16R2.734 CC(CCO)OC1Cc2ccccc2C1 34a_100011215286_100009893172 [0,1,0,1,0,0|2,0,0]=4 9800 B16R2.734 CC(CCO)SC1Cc2ccccc2C1 62a_100009893172_100000753484 [0,1,0,1,0,0|2,0,0]=4 9801 B16R2.734 CCCC(=O)NC1Cc2ccccc2C1 11a_100000753258_100000211992 [0,1,0,1,0,0|1,0,1]=4 9802 B16R2.734 CCCC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100000211992 [0,1,0,1,0,0|1,0,1]=4 9803 B16R2.734 CCCC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100000211992 [0,1,0,1,0,0|1,0,1]=4 9804 B16R2.734 CCCC(=O)NC1Cc2ccccc2C1 527a_100000753258_100000211992 [0,1,0,1,0,0|1,0,1]=4 9805 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000766640 [0,1,0,1,0,0|1,0,0]=3 9806 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100000211909 [0,1,0,1,0,0|1,0,0]=3 9807 B16R2.734 CCCC(C)NC1Cc2ccccc2C1 34a_100000753258_100000766640 [0,1,0,1,0,0|1,0,0]=3 9808 B16R2.734 CCCC(C)OC1Cc2ccccc2C1 34a_100000764384_100000753484 [0,1,0,1,0,0|2,0,0]=4 9809 B16R2.734 CCCC(C)OC1Cc2ccccc2C1 34a_100011215286_100000766640 [0,1,0,1,0,0|2,0,0]=4 9810 B16R2.734 CCCC(C)OC1Cc2ccccc2C1 7a_100000764384_100000753484 [0,1,0,1,0,0|2,0,0]=4 9811 B16R2.734 CCCC(C)SC1Cc2ccccc2C1 62a_100000766640_100000753484 [0,1,0,1,0,0|2,0,0]=4 9812 B16R2.734 COCC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000765312 [0,1,0,1,0,0|2,0,0]=4 9813 B16R2.734 COCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100000749346 [0,1,0,1,0,0|2,0,0]=4 9814 B16R2.734 COCC(C)NC1Cc2ccccc2C1 34a_100000753258_100000765312 [0,1,0,1,0,0|2,0,0]=4 9815 B16R2.734 CSCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100011216314 [0,1,0,1,0,0|2,0,0]=4 9816 B16R2.734 C[C@H](CCO)NC1Cc2ccccc2C1 34a_100000706166_100000753484 [0,1,0,1,0,0|1,0,0]=3 9817 B16R2.734 O=C(CCO)NC1Cc2ccccc2C1 240690a_100000753258_100011216618 [0,1,0,1,0,0|1,0,1]=4 9818 B16R2.789 CC(CC#N)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813641 [0,1,0,1,0,0|1,0,1]=4 9819 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009893172 [0,1,0,1,0,0|1,0,0]=3 9820 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009893172 [0,1,0,1,0,0|1,0,0]=3 9821 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000211992 [0,1,0,1,0,0|1,0,1]=4 9822 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000211992 [0,1,0,1,0,0|1,0,1]=4 9823 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000211992 [0,1,0,1,0,0|1,0,1]=4 9824 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000211992 [0,1,0,1,0,0|1,0,1]=4 9825 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766640 [0,1,0,1,0,0|1,0,0]=3 9826 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000766640 [0,1,0,1,0,0|1,0,0]=3 9827 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000765312 [0,1,0,1,0,0|2,0,0]=4 9828 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000765312 [0,1,0,1,0,0|2,0,0]=4 9829 B16R2.789 O=C(CCO)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011216618 [0,1,0,1,0,0|1,0,1]=4 9830 B16R2.3334 CC(C[n+]1ccccc1)NC2CC(C2)F 270004a_100016993743_100000034229 [0,1,0,1,0,0|1,1,0]=4 9831 B16R2.3334 CC(C[n+]1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000034229 [0,1,0,1,0,0|2,0,0]=4 9832 B16R2.3334 CC(Cc1cccnc1)NC2CC(C2)F 270004a_100016993743_100015187140 [0,1,0,1,0,0|1,1,0]=4 9833 B16R2.3334 CC(Cc1cccnc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100015187140 [0,1,0,1,0,0|2,0,0]=4 9834 B16R2.3334 CC(Cc1ccncc1)NC2CC(C2)F 270004a_100016993743_100000238508 [0,1,0,1,0,0|1,1,0]=4 9835 B16R2.3334 CC(Cc1ccncc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000238508 [0,1,0,1,0,0|2,0,0]=4 9836 B16R2.27736 CC(C[n+]1ccccc1)NC2(CCC2)C 270004a_100000692455_100000034229 [0,1,0,1,0,0|2,0,0]=4 9837 B16R2.27736 CC(Cc1ccccc1)NC2(CCC2)C 34a_100000692455_200011218536 [0,1,0,1,0,0|1,0,0]=3 9838 B16R2.27736 CC(Cc1ccccc1)OC2(CCC2)C 34a_100000759064_200011218536 [0,1,0,1,0,0|2,0,0]=4 9839 B16R2.27736 CC(Cc1ccccc1)OC2(CCC2)C 7a_100000759064_200011218536 [0,1,0,1,0,0|2,0,0]=4 9840 B16R2.27736 CC(Cc1cccnc1)NC2(CCC2)C 270004a_100000692455_100015187140 [0,1,0,1,0,0|2,0,0]=4 9841 B16R2.27736 CC(Cc1ccncc1)NC2(CCC2)C 270004a_100000692455_100000238508 [0,1,0,1,0,0|2,0,0]=4 9842 B16R2.27769 CC(C[n+]1ccccc1)NC(C)C2CC2 270004a_100000700016_100000034229 [0,1,0,1,0,0|2,0,0]=4 9843 B16R2.27769 CC(Cc1ccccc1)NC(C)C2CC2 34a_100000700016_200011218536 [0,1,0,1,0,0|1,0,0]=3 9844 B16R2.27769 CC(Cc1ccccc1)OC(C)C2CC2 34a_100000744524_200011218536 [0,1,0,1,0,0|2,0,0]=4 9845 B16R2.27769 CC(Cc1ccccc1)OC(C)C2CC2 7a_100000744524_200011218536 [0,1,0,1,0,0|2,0,0]=4 9846 B16R2.27769 CC(Cc1ccccn1)NC(C)C2CC2 269862a_100000238496_100000210639 [0,1,0,1,0,0|2,0,0]=4 9847 B16R2.27769 CC(Cc1ccccn1)NC(C)C2CO2 270004a_100000238496_100000031964 [0,1,0,1,0,0|2,0,0]=4 9848 B16R2.27769 CC(Cc1cccnc1)NC(C)C2CC2 269862a_100011207255_100000210639 [0,1,0,1,0,0|2,0,0]=4 9849 B16R2.27769 CC(Cc1cccnc1)NC(C)C2CC2 270004a_100000700016_100015187140 [0,1,0,1,0,0|2,0,0]=4 9850 B16R2.27769 CC(Cc1cccnc1)NC(C)C2CO2 270004a_100011207255_100000031964 [0,1,0,1,0,0|2,0,0]=4 9851 B16R2.27769 CC(Cc1ccncc1)NC(C)C2CC2 270004a_100000700016_100000238508 [0,1,0,1,0,0|2,0,0]=4 9852 B16R2.1164 C=CC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000730141 [0,1,0,1,0,0|1,0,1]=4 9853 B16R2.1164 C=CC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000730141 [0,1,0,1,0,0|1,0,1]=4 9854 B16R2.1164 CCC(=O)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000747405 [0,1,0,1,0,0|1,0,1]=4 9855 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000748023 [0,1,0,1,0,0|1,0,0]=3 9856 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000748023 [0,1,0,1,0,0|1,0,0]=3 9857 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000243153 [0,1,0,1,0,0|1,0,0]=3 9858 B16R2.1164 CCC(C)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000748023 [0,1,0,1,0,0|1,0,0]=3 9859 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011218378 [0,1,0,1,0,0|1,0,0]=3 9860 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011218378 [0,1,0,1,0,0|1,0,0]=3 9861 B16R2.1164 CCC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011218378 [0,1,0,1,0,0|1,0,0]=3 9862 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009816398 [0,1,0,1,0,0|1,0,0]=3 9863 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100009816398 [0,1,0,1,0,0|1,0,0]=3 9864 B16R2.1164 CC[C@H](C)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100009816398 [0,1,0,1,0,0|1,0,0]=3 9865 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000059175 [0,1,0,1,0,0|1,0,0]=3 9866 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000059175 [0,1,0,1,0,0|1,0,0]=3 9867 B16R2.1164 C[C@@H](CO)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000059175 [0,1,0,1,0,0|1,0,0]=3 9868 B16R2.1164 OCC(O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011219619 [0,1,0,1,0,0|1,0,0]=3 9869 B16R2.1164 OCC(O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011219619 [0,1,0,1,0,0|1,0,0]=3 9870 B16R2.1164 OC[C@H](O)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100009815848 [0,1,0,1,0,0|1,0,0]=3 9871 B16R2.1164 OC[C@H](O)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100009815848 [0,1,0,1,0,0|1,0,0]=3 9872 B16R2.1164 O[C@@H](CF)CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100015614560 [0,1,0,1,0,0|0,1,0]=3 9873 B16R2.1164 O[C@@H](CF)CN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015614560 [0,1,0,1,0,0|0,1,0]=3 9874 B16R2.1173 C=CC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730141 [0,1,0,1,0,0|1,0,1]=4 9875 B16R2.1173 C=CC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000730141 [0,1,0,1,0,0|1,0,1]=4 9876 B16R2.1173 CCC(C)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000748023 [0,1,0,1,0,0|1,0,0]=3 9877 B16R2.1173 CCC(C)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000748023 [0,1,0,1,0,0|1,0,0]=3 9878 B16R2.1173 CCC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218378 [0,1,0,1,0,0|1,0,0]=3 9879 B16R2.1173 CCC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218378 [0,1,0,1,0,0|1,0,0]=3 9880 B16R2.1173 CC[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009816398 [0,1,0,1,0,0|1,0,0]=3 9881 B16R2.1173 CC[C@H](C)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009816398 [0,1,0,1,0,0|1,0,0]=3 9882 B16R2.1173 C[C@@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000059175 [0,1,0,1,0,0|1,0,0]=3 9883 B16R2.1173 C[C@@H](CO)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000059175 [0,1,0,1,0,0|1,0,0]=3 9884 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011219619 [0,1,0,1,0,0|1,0,0]=3 9885 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011219619 [0,1,0,1,0,0|1,0,0]=3 9886 B16R2.1173 OC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009815848 [0,1,0,1,0,0|1,0,0]=3 9887 B16R2.1173 OC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009815848 [0,1,0,1,0,0|1,0,0]=3 9888 B16R2.1173 O[C@@H](CF)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100015614560 [0,1,0,1,0,0|0,1,0]=3 9889 B16R2.1173 O[C@@H](CF)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015614560 [0,1,0,1,0,0|0,1,0]=3 9890 B16R2.1181 C=CC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100000730141 [0,1,0,1,0,0|1,0,1]=4 9891 B16R2.1181 C=CC(O)CNC1Cc2ccccc2C1 34a_100000753258_100000730141 [0,1,0,1,0,0|1,0,1]=4 9892 B16R2.1181 CC(CN)COC1Cc2ccccc2C1 34a_100000744482_100000753484 [0,1,0,1,0,0|2,0,0]=4 9893 B16R2.1181 CC(CO)CNC1Cc2ccccc2C1 34a_100000744482_100000753484 [0,1,0,1,0,0|1,0,0]=3 9894 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 2230a_100000753258_100000748023 [0,1,0,1,0,0|1,0,0]=3 9895 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 270004a_100000753258_100000243153 [0,1,0,1,0,0|1,0,0]=3 9896 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 34a_100000753258_100000748023 [0,1,0,1,0,0|1,0,0]=3 9897 B16R2.1181 CCC(C)COC1Cc2ccccc2C1 34a_100011215286_100000748023 [0,1,0,1,0,0|2,0,0]=4 9898 B16R2.1181 CCC(C)CSC1Cc2ccccc2C1 62a_100000748023_100000753484 [0,1,0,1,0,0|2,0,0]=4 9899 B16R2.1181 CCC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100011218378 [0,1,0,1,0,0|1,0,0]=3 9900 B16R2.1181 CCC(O)CNC1Cc2ccccc2C1 34a_100000753258_100011218378 [0,1,0,1,0,0|1,0,0]=3 9901 B16R2.1181 CCC(O)COC1Cc2ccccc2C1 34a_100011215286_100011218378 [0,1,0,1,0,0|2,0,0]=4 9902 B16R2.1181 CCC(O)CSC1Cc2ccccc2C1 62a_100011218378_100000753484 [0,1,0,1,0,0|2,0,0]=4 9903 B16R2.1181 CC[C@H](C)CNC1Cc2ccccc2C1 2230a_100000753258_100009816398 [0,1,0,1,0,0|1,0,0]=3 9904 B16R2.1181 CC[C@H](C)CNC1Cc2ccccc2C1 34a_100000753258_100009816398 [0,1,0,1,0,0|1,0,0]=3 9905 B16R2.1181 CC[C@H](C)COC1Cc2ccccc2C1 34a_100011215286_100009816398 [0,1,0,1,0,0|2,0,0]=4 9906 B16R2.1181 CC[C@H](C)COC1Cc2ccccc2C1 7a_100009816381_100000753484 [0,1,0,1,0,0|2,0,0]=4 9907 B16R2.1181 CC[C@H](C)CSC1Cc2ccccc2C1 62a_100009816398_100000753484 [0,1,0,1,0,0|2,0,0]=4 9908 B16R2.1181 C[C@@H](CO)CNC1Cc2ccccc2C1 2230a_100000753258_100000059175 [0,1,0,1,0,0|1,0,0]=3 9909 B16R2.1181 C[C@@H](CO)CNC1Cc2ccccc2C1 34a_100000753258_100000059175 [0,1,0,1,0,0|1,0,0]=3 9910 B16R2.1181 C[C@@H](CO)COC1Cc2ccccc2C1 34a_100011215286_100000059175 [0,1,0,1,0,0|2,0,0]=4 9911 B16R2.1181 C[C@@H](CO)CSC1Cc2ccccc2C1 62a_100000059175_100000753484 [0,1,0,1,0,0|2,0,0]=4 9912 B16R2.1181 ClCC(Cl)COC1Cc2ccccc2C1 34a_100000033668_100000753484 [0,1,0,1,0,0|1,0,0]=3 9913 B16R2.1181 NC[C@@H](F)COC1Cc2ccccc2C1 34a_100015665980_100000753484 [0,1,0,1,0,0|2,0,0]=4 9914 B16R2.1181 OCC(O)CNC1Cc2ccccc2C1 2230a_100000753258_100011219619 [0,1,0,1,0,0|1,0,0]=3 9915 B16R2.1181 OCC(O)CNC1Cc2ccccc2C1 34a_100000753258_100011219619 [0,1,0,1,0,0|1,0,0]=3 9916 B16R2.1181 OCC(O)COC1Cc2ccccc2C1 34a_100011215286_100011219619 [0,1,0,1,0,0|2,0,0]=4 9917 B16R2.1181 OCC(O)CSC1Cc2ccccc2C1 62a_100011219619_100000753484 [0,1,0,1,0,0|2,0,0]=4 9918 B16R2.1181 OC[C@H](F)CNC1Cc2ccccc2C1 34a_100015665980_100000753484 [0,1,0,1,0,0|1,0,0]=3 9919 B16R2.1181 OC[C@H](O)CNC1Cc2ccccc2C1 2230a_100000753258_100009815848 [0,1,0,1,0,0|1,0,0]=3 9920 B16R2.1181 OC[C@H](O)CNC1Cc2ccccc2C1 34a_100000753258_100009815848 [0,1,0,1,0,0|1,0,0]=3 9921 B16R2.1181 OC[C@H](O)COC1Cc2ccccc2C1 34a_100011215286_100009815848 [0,1,0,1,0,0|2,0,0]=4 9922 B16R2.1181 OC[C@H](O)CSC1Cc2ccccc2C1 62a_100009815848_100000753484 [0,1,0,1,0,0|2,0,0]=4 9923 B16R2.1181 O[C@@H](CF)CNC1Cc2ccccc2C1 2230a_100000753258_100015614560 [0,1,0,1,0,0|0,1,0]=3 9924 B16R2.1181 O[C@@H](CF)CNC1Cc2ccccc2C1 34a_100000753258_100015614560 [0,1,0,1,0,0|0,1,0]=3 9925 B16R2.1181 O[C@@H](CF)COC1Cc2ccccc2C1 34a_100011215286_100015614560 [0,1,0,1,0,0|1,1,0]=4 9926 B16R2.1181 O[C@@H](CF)CSC1Cc2ccccc2C1 62a_100015614560_100000753484 [0,1,0,1,0,0|1,1,0]=4 9927 B16R2.3341 CC(C[n+]1ccccc1)N2C[C@@H]([C@@H]2C)O 270004a_206633788156_100000034229 [0,1,0,1,0,0|2,0,0]=4 9928 B16R2.3341 CC(Cc1ccccc1)N2C[C@@H]([C@@H]2C)O 269982a_206633788156_200011218536 [0,1,0,1,0,0|1,0,0]=3 9929 B16R2.3341 CC(Cc1cccnc1)N2C[C@@H]([C@@H]2C)O 270004a_206633788156_100015187140 [0,1,0,1,0,0|2,0,0]=4 9930 B16R2.3341 CC(Cc1ccncc1)N2C[C@@H]([C@@H]2C)O 270004a_206633788156_100000238508 [0,1,0,1,0,0|2,0,0]=4 9931 B16R2.147271 CC(C[n+]1ccccc1)NCC2(CC2)C 270004a_100000766693_100000034229 [0,1,0,1,0,0|2,0,0]=4 9932 B16R2.147271 CC(C[n+]1ccccc1)NCC2(CC2)O 270004a_100011936951_100000034229 [0,1,0,1,0,0|2,0,0]=4 9933 B16R2.147271 CC(Cc1ccccc1)OCC2(CC2)C 7a_100000698024_200011218536 [0,1,0,1,0,0|2,0,0]=4 9934 B16R2.147271 CC(Cc1ccccc1)OCC2(CC2)F 34a_200000703853_200011218536 [0,1,0,1,0,0|2,0,0]=4 9935 B16R2.147271 CC(Cc1ccccc1)OCC2(CC2)F 7a_200000703853_200011218536 [0,1,0,1,0,0|2,0,0]=4 9936 B16R2.147271 CC(Cc1ccccc1)OCC2(CO2)C 34a_100000748627_100000760498 [0,1,0,1,0,0|2,0,0]=4 9937 B16R2.147271 CC(Cc1ccccc1)SCC2(CO2)C 62a_100000760498_200011218536 [0,1,0,1,0,0|2,0,0]=4 9938 B16R2.147271 CC(Cc1ccccc1)SCC2(CO2)C 62a_200011218536_100000760498 [0,1,0,1,0,0|2,0,0]=4 9939 B16R2.147271 CC(Cc1cccnc1)NCC2(CC2)C 270004a_100000766693_100015187140 [0,1,0,1,0,0|2,0,0]=4 9940 B16R2.147271 CC(Cc1cccnc1)NCC2(CC2)O 270004a_100011936951_100015187140 [0,1,0,1,0,0|2,0,0]=4 9941 B16R2.147271 CC(Cc1ccncc1)NCC2(CC2)C 270004a_100000766693_100000238508 [0,1,0,1,0,0|2,0,0]=4 9942 B16R2.147271 CC(Cc1ccncc1)NCC2(CC2)O 270004a_100011936951_100000238508 [0,1,0,1,0,0|2,0,0]=4 9943 B16R2.101 CCC(Cc1ccccc1)N2CCCC2 270004a_100000188435_100000212045 [0,1,0,1,0,0|1,0,0]=3 9944 B16R2.101 CCC(Cc1ccccc1)N2CCSC2 270004a_100011215254_100000212045 [0,1,0,1,0,0|2,0,0]=4 9945 B16R2.676 CCC(Cc1ccccc1)NCC2CC2 270004a_100000735609_100000212045 [0,1,0,1,0,0|1,0,0]=3 9946 B16R2.676 CCC(Cc1ccccc1)OCC2CC2 7a_100000760156_100000742324 [0,1,0,1,0,0|2,0,0]=4 9947 B16R2.676 CCC(Cc1ccccc1)OCC2CO2 7a_100000760156_102125554688 [0,1,0,1,0,0|2,0,0]=4 9948 B16R2.676 CCC(Cc1ccccc1)OCC2CS2 7a_100000760156_100000031435 [0,1,0,1,0,0|2,0,0]=4 9949 B16R2.676 CCC(Cc1ccccc1)OC[C@@H]2CO2 7a_100000760156_100000745022 [0,1,0,1,0,0|2,0,0]=4 9950 B16R2.676 ClC[C@H](Cc1ccccc1)OCC2CC2 7a_100000729385_100000742324 [0,1,0,1,0,0|2,0,0]=4 9951 B16R2.676 ClC[C@H](Cc1ccccc1)OCC2CO2 7a_100000729385_102125554688 [0,1,0,1,0,0|2,0,0]=4 9952 B16R2.676 ClC[C@H](Cc1ccccc1)OCC2CS2 7a_100000729385_100000031435 [0,1,0,1,0,0|2,0,0]=4 9953 B16R2.676 ClC[C@H](Cc1ccccc1)OC[C@@H]2CO2 7a_100000729385_100000745022 [0,1,0,1,0,0|2,0,0]=4 9954 B16R2.676 N#CC(Cc1ccccc1)NCC2CC2 2230a_100000746547_100000742324 [0,1,0,1,0,0|1,0,1]=4 9955 B16R2.676 N#CC(Cc1ccccc1)NCC2CO2 2230a_100000746547_100011216344 [0,1,0,1,0,0|1,0,1]=4 9956 B16R2.676 NCC(Cc1ccccc1)OCC2CC2 34a_100000752270_100000742324 [0,1,0,1,0,0|2,0,0]=4 9957 B16R2.676 NCC(Cc1ccccc1)OCC2CO2 34a_100000752270_102125554688 [0,1,0,1,0,0|2,0,0]=4 9958 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 2230a_100000739027_100000742324 [0,1,0,1,0,0|1,0,0]=3 9959 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 269862a_100000739027_100000741477 [0,1,0,1,0,0|1,0,0]=3 9960 B16R2.676 OCC(Cc1ccccc1)NCC2CO2 2230a_100000739027_100011216344 [0,1,0,1,0,0|1,0,0]=3 9961 B16R2.676 OCC(Cc1cccnc1)NCC2CC2 2230a_100000717814_100000742324 [0,1,0,1,0,0|2,0,0]=4 9962 B16R2.676 OCC(Cc1cccnc1)NCC2CC2 269862a_100000717814_100000741477 [0,1,0,1,0,0|2,0,0]=4 9963 B16R2.676 OCC(Cc1cccnc1)NCC2CO2 2230a_100000717814_100011216344 [0,1,0,1,0,0|2,0,0]=4 9964 B16R2.676 OCC(Cc1ccncc1)NCC2CC2 2230a_100000717866_100000742324 [0,1,0,1,0,0|2,0,0]=4 9965 B16R2.676 OCC(Cc1ccncc1)NCC2CC2 269862a_100000717866_100000741477 [0,1,0,1,0,0|2,0,0]=4 9966 B16R2.676 OCC(Cc1ccncc1)NCC2CO2 2230a_100000717866_100011216344 [0,1,0,1,0,0|2,0,0]=4 9967 B16R2.29082 CCC(Cc1ccccc1)NC2COC2 270004a_100016991112_100000212045 [0,1,0,1,0,0|2,0,0]=4 9968 B16R2.29082 CCC(Cc1ccccc1)NC2CSC2 270004a_100016994217_100000212045 [0,1,0,1,0,0|2,0,0]=4 9969 B16R2.29082 NCC(Cc1ccccc1)OC2CCC2 34a_100000752270_100000749161 [0,1,0,1,0,0|2,0,0]=4 9970 B16R2.29082 OCC(Cc1ccccc1)NC2CCC2 270004a_100000739027_100000241760 [0,1,0,1,0,0|1,0,0]=3 9971 B16R2.29082 OCC(Cc1cccnc1)NC2CCC2 270004a_100000717814_100000241760 [0,1,0,1,0,0|2,0,0]=4 9972 B16R2.29082 OCC(Cc1ccncc1)NC2CCC2 270004a_100000717866_100000241760 [0,1,0,1,0,0|2,0,0]=4 9973 B16R2.492 C=C(C)CCNC1Cc2ccccc2C1 2230a_100000753258_100000730704 [0,1,0,1,0,0|1,0,1]=4 9974 B16R2.492 C=C(C)CCNC1Cc2ccccc2C1 34a_100000753258_100000730704 [0,1,0,1,0,0|1,0,1]=4 9975 B16R2.492 CC(Br)CCOC1Cc2ccccc2C1 34a_100009893172_100000753484 [0,1,0,1,0,0|1,1,0]=4 9976 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 2230a_100000753258_100000210312 [0,1,0,1,0,0|1,0,0]=3 9977 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 269862a_100000753258_100000185833 [0,1,0,1,0,0|1,0,0]=3 9978 B16R2.492 CC(C)CCNC1Cc2ccccc2C1 34a_100000753258_100000210312 [0,1,0,1,0,0|1,0,0]=3 9979 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 34a_100000210254_100000753484 [0,1,0,1,0,0|2,0,0]=4 9980 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 34a_100011215286_100000210312 [0,1,0,1,0,0|2,0,0]=4 9981 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 7a_100000210254_100000753484 [0,1,0,1,0,0|2,0,0]=4 9982 B16R2.492 CC(C)CCSC1Cc2ccccc2C1 62a_100000210312_100000753484 [0,1,0,1,0,0|2,0,0]=4 9983 B16R2.492 CC(C)OCNC1Cc2ccccc2C1 2230a_100000753258_100000709892 [0,1,0,1,0,0|2,0,0]=4 9984 B16R2.492 CC(C)OCNC1Cc2ccccc2C1 34a_100000753258_100000709892 [0,1,0,1,0,0|2,0,0]=4 9985 B16R2.492 CC(O)CCNC1Cc2ccccc2C1 2230a_100000753258_100012276601 [0,1,0,1,0,0|1,0,0]=3 9986 B16R2.492 CC(O)CCNC1Cc2ccccc2C1 34a_100000753258_100012276601 [0,1,0,1,0,0|1,0,0]=3 9987 B16R2.492 CC(O)CCOC1Cc2ccccc2C1 34a_100011215286_100012276601 [0,1,0,1,0,0|2,0,0]=4 9988 B16R2.492 CC(O)CCSC1Cc2ccccc2C1 62a_100012276601_100000753484 [0,1,0,1,0,0|2,0,0]=4 9989 B16R2.492 C[C@@H](N)CCOC1Cc2ccccc2C1 34a_100000706166_100000753484 [0,1,0,1,0,0|2,0,0]=4 9990 B16R2.492 FC(F)CCOC1Cc2ccccc2C1 34a_100103093639_100000753484 [0,1,0,1,0,0|1,1,0]=4 9991 B16R2.492 NC(=O)CCNC1Cc2ccccc2C1 2230a_100000753258_100000744528 [0,1,0,1,0,0|1,0,1]=4 9992 B16R2.492 NC(=O)CCNC1Cc2ccccc2C1 34a_100000753258_100000731001 [0,1,0,1,0,0|1,0,1]=4 9993 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 9994 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 9995 B16R2.1326 C=C(C)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000730704 [0,1,0,1,0,0|1,0,1]=4 9996 B16R2.1326 CC(=O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000053229 [0,1,0,1,0,0|1,0,1]=4 9997 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210312 [0,1,0,1,0,0|1,0,0]=3 9998 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210312 [0,1,0,1,0,0|1,0,0]=3 9999 B16R2.1326 CC(C)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210312 [0,1,0,1,0,0|1,0,0]=3 10000 B16R2.1326 CC(C)OCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000709892 [0,1,0,1,0,0|2,0,0]=4 10001 B16R2.1326 CC(C)OCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000709892 [0,1,0,1,0,0|2,0,0]=4 10002 B16R2.1326 CC(C)OCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000709892 [0,1,0,1,0,0|2,0,0]=4 10003 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100012276601 [0,1,0,1,0,0|1,0,0]=3 10004 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100012276601 [0,1,0,1,0,0|1,0,0]=3 10005 B16R2.1326 CC(O)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100012276601 [0,1,0,1,0,0|1,0,0]=3 10006 B16R2.1326 CN(C)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000755713 [0,1,0,1,0,0|2,0,0]=4 10007 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000744528 [0,1,0,1,0,0|1,0,1]=4 10008 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000744528 [0,1,0,1,0,0|1,0,1]=4 10009 B16R2.1326 NC(=O)CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000731001 [0,1,0,1,0,0|1,0,1]=4 10010 B16R2.1330 C=C(C)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730704 [0,1,0,1,0,0|1,0,1]=4 10011 B16R2.1330 C=C(C)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000730704 [0,1,0,1,0,0|1,0,1]=4 10012 B16R2.1330 CC(C)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210312 [0,1,0,1,0,0|1,0,0]=3 10013 B16R2.1330 CC(C)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210312 [0,1,0,1,0,0|1,0,0]=3 10014 B16R2.1330 CC(C)OCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000709892 [0,1,0,1,0,0|2,0,0]=4 10015 B16R2.1330 CC(C)OCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000709892 [0,1,0,1,0,0|2,0,0]=4 10016 B16R2.1330 CC(O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100012276601 [0,1,0,1,0,0|1,0,0]=3 10017 B16R2.1330 CC(O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012276601 [0,1,0,1,0,0|1,0,0]=3 10018 B16R2.1330 NC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000744528 [0,1,0,1,0,0|1,0,1]=4 10019 B16R2.1330 NC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000731001 [0,1,0,1,0,0|1,0,1]=4 10020 B16R2.27737 CC(Cc1ccccc1)NC2CC2(F)F 34a_100020610826_200011218536 [0,1,0,1,0,0|0,1,0]=3 10021 B16R2.2109 C#CCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000688953 [0,1,0,1,0,0|1,0,1]=4 10022 B16R2.2109 C#CCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000688953 [0,1,0,1,0,0|1,0,1]=4 10023 B16R2.2109 C=CCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000754431 [0,1,0,1,0,0|1,0,1]=4 10024 B16R2.2109 C=CCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000754431 [0,1,0,1,0,0|1,0,1]=4 10025 B16R2.2109 CC1(Cc2ccccc2C1)NCCC#N 2230a_100000706725_100011215226 [0,1,0,1,0,0|1,0,1]=4 10026 B16R2.2109 CC1(Cc2ccccc2C1)NCCCF 2230a_100000706725_100011934791 [0,1,0,1,0,0|0,1,0]=3 10027 B16R2.2109 CC1(Cc2ccccc2C1)NCCCF 34a_100000706725_100011934791 [0,1,0,1,0,0|0,1,0]=3 10028 B16R2.2109 CC1(Cc2ccccc2C1)NCCCO 2230a_100000706725_100000230001 [0,1,0,1,0,0|1,0,0]=3 10029 B16R2.2109 CC1(Cc2ccccc2C1)NCCCO 34a_100000706725_100000230001 [0,1,0,1,0,0|1,0,0]=3 10030 B16R2.2109 CCCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000210211 [0,1,0,1,0,0|1,0,0]=3 10031 B16R2.2109 CCCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000210210 [0,1,0,1,0,0|1,0,0]=3 10032 B16R2.2109 COCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100011201679 [0,1,0,1,0,0|2,0,0]=4 10033 B16R2.2109 COCCNC1(Cc2ccccc2C1)C 34a_100000706725_100011201679 [0,1,0,1,0,0|2,0,0]=4 10034 B16R2.2109 CSCCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000751147 [0,1,0,1,0,0|2,0,0]=4 10035 B16R2.2109 CSCCNC1(Cc2ccccc2C1)C 34a_100000706725_100000212216 [0,1,0,1,0,0|2,0,0]=4 10036 B16R2.2957 CC(Cc1ccccc1Br)N2CCCC2 270004a_100000188435_100011350739 [0,1,0,1,0,0|1,0,0]=3 10037 B16R2.2957 CC(Cc1ccccc1Br)N2CCSC2 270004a_100011215254_100011350739 [0,1,0,1,0,0|2,0,0]=4 10038 B16R2.2957 CC(Cc1ccccc1Cl)N2CCCC2 270004a_100000188435_100000758791 [0,1,0,1,0,0|1,0,0]=3 10039 B16R2.2957 CC(Cc1ccccc1Cl)N2CCSC2 270004a_100011215254_100000758791 [0,1,0,1,0,0|2,0,0]=4 10040 B16R2.2957 CC(Cc1ccccc1F)N2CCCC2 270004a_100000188435_100000709178 [0,1,0,1,0,0|1,0,0]=3 10041 B16R2.2957 CC(Cc1ccccc1F)N2CCSC2 270004a_100011215254_100000709178 [0,1,0,1,0,0|2,0,0]=4 10042 B16R2.2957 Cc1ccccc1CC(C)N2CCCC2 270004a_100000188435_200000764500 [0,1,0,1,0,0|1,0,0]=3 10043 B16R2.2957 Cc1ccccc1CC(C)N2CCSC2 270004a_100011215254_200000764500 [0,1,0,1,0,0|2,0,0]=4 10044 B16R2.2957 Cc1cccnc1CC(C)N2CCCC2 270004a_100000188435_100011823981 [0,1,0,1,0,0|2,0,0]=4 10045 B16R2.6307 C#CCCNC1CC1c2ccccc2F 2230a_100000753450_100000688953 [0,1,0,1,0,0|1,0,1]=4 10046 B16R2.6307 C#CCCNC1CC1c2ccccc2F 34a_100000753450_100000688953 [0,1,0,1,0,0|1,0,1]=4 10047 B16R2.6307 C=CCCNC1CC1c2ccccc2F 2230a_100000753450_100000754431 [0,1,0,1,0,0|1,0,1]=4 10048 B16R2.6307 C=CCCNC1CC1c2ccccc2F 34a_100000753450_100000754431 [0,1,0,1,0,0|1,0,1]=4 10049 B16R2.6307 CCCCNC1CC1c2ccccc2F 2230a_100000753450_100000210211 [0,1,0,1,0,0|1,0,0]=3 10050 B16R2.6307 CCCCNC1CC1c2ccccc2F 34a_100000753450_100000210210 [0,1,0,1,0,0|1,0,0]=3 10051 B16R2.6307 COCCNC1CC1c2ccccc2F 2230a_100000753450_100011201679 [0,1,0,1,0,0|2,0,0]=4 10052 B16R2.6307 COCCNC1CC1c2ccccc2F 34a_100000753450_100011201679 [0,1,0,1,0,0|2,0,0]=4 10053 B16R2.6307 CSCCNC1CC1c2ccccc2F 2230a_100000753450_100000751147 [0,1,0,1,0,0|2,0,0]=4 10054 B16R2.6307 CSCCNC1CC1c2ccccc2F 34a_100000753450_100000212216 [0,1,0,1,0,0|2,0,0]=4 10055 B16R2.6307 FCCCNC1CC1c2ccccc2F 2230a_100000753450_100011934791 [0,1,0,1,0,0|0,1,0]=3 10056 B16R2.6307 FCCCNC1CC1c2ccccc2F 34a_100000753450_100011934791 [0,1,0,1,0,0|0,1,0]=3 10057 B16R2.6307 N#CCCNC1CC1c2ccccc2F 2230a_100000753450_100011215226 [0,1,0,1,0,0|1,0,1]=4 10058 B16R2.6307 OCCCNC1CC1c2ccccc2F 2230a_100000753450_100000230001 [0,1,0,1,0,0|1,0,0]=3 10059 B16R2.6307 OCCCNC1CC1c2ccccc2F 34a_100000753450_100000230001 [0,1,0,1,0,0|1,0,0]=3 10060 B16R2.24867 CC(Cc1ccccc1Br)NCC2CC2 270004a_100000735609_100011350739 [0,1,0,1,0,0|1,0,0]=3 10061 B16R2.24867 CC(Cc1ccccc1Cl)NCC2CC2 270004a_100000735609_100000758791 [0,1,0,1,0,0|1,0,0]=3 10062 B16R2.24867 CC(Cc1ccccc1F)NCC2CC2 270004a_100000735609_100000709178 [0,1,0,1,0,0|1,0,0]=3 10063 B16R2.24867 Cc1ccccc1CC(C)NCC2CC2 270004a_100000735609_200000764500 [0,1,0,1,0,0|1,0,0]=3 10064 B16R2.24867 Cc1cccnc1CC(C)NCC2CC2 270004a_100000735609_100011823981 [0,1,0,1,0,0|2,0,0]=4 10065 B16R2.84031 CC(Cc1ccccc1Br)NC2COC2 270004a_100016991112_100011350739 [0,1,0,1,0,0|2,0,0]=4 10066 B16R2.84031 CC(Cc1ccccc1Br)NC2CSC2 270004a_100016994217_100011350739 [0,1,0,1,0,0|2,0,0]=4 10067 B16R2.84031 CC(Cc1ccccc1Cl)NC2COC2 270004a_100016991112_100000758791 [0,1,0,1,0,0|2,0,0]=4 10068 B16R2.84031 CC(Cc1ccccc1Cl)NC2CSC2 270004a_100016994217_100000758791 [0,1,0,1,0,0|2,0,0]=4 10069 B16R2.84031 CC(Cc1ccccc1F)NC2COC2 270004a_100016991112_100000709178 [0,1,0,1,0,0|2,0,0]=4 10070 B16R2.84031 CC(Cc1ccccc1F)NC2CSC2 270004a_100016994217_100000709178 [0,1,0,1,0,0|2,0,0]=4 10071 B16R2.84031 Cc1ccccc1CC(C)NC2COC2 270004a_100016991112_200000764500 [0,1,0,1,0,0|2,0,0]=4 10072 B16R2.84031 Cc1ccccc1CC(C)NC2CSC2 270004a_100016994217_200000764500 [0,1,0,1,0,0|2,0,0]=4 10073 B16R2.82794 CC(C)(Cc1ccccc1)OCC2CC2 7a_100011215222_100000742324 [0,1,0,1,0,0|2,0,0]=4 10074 B16R2.82794 CC(C)(Cc1ccccc1)OCC2CO2 7a_100011215222_102125554688 [0,1,0,1,0,0|2,0,0]=4 10075 B16R2.82794 CC(C)(Cc1ccccc1)OCC2CS2 7a_100011215222_100000031435 [0,1,0,1,0,0|2,0,0]=4 10076 B16R2.82794 CC(C)(Cc1ccccc1)OC[C@@H]2CO2 7a_100011215222_100000745022 [0,1,0,1,0,0|2,0,0]=4 10077 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCCC3 269982a_100000188435_100000753484 [0,0,0,2,0,0|1,0,0]=3 10078 B16R3.5925 c1ccc2c(c1)CC(C2)N3CCSC3 269982a_100011215254_100000753484 [0,0,0,2,0,0|2,0,0]=4 10079 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 269982a_100016998360_100000749161 [0,0,0,2,0,0|1,0,0]=3 10080 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 270004a_100016998360_100000241760 [0,0,0,2,0,0|1,0,0]=3 10081 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3CCC3 34a_100016998360_100000749161 [0,0,0,2,0,0|1,0,0]=3 10082 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3COC3 269982a_100016998360_100000687716 [0,0,0,2,0,0|2,0,0]=4 10083 B16R3.6019 c1ccc(cc1)C[C@H]2CN2C3COC3 34a_100016998360_100009818527 [0,0,0,2,0,0|2,0,0]=4 10084 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 2230a_100016998360_100000742324 [0,0,0,2,0,0|1,0,0]=3 10085 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 269982a_100016998360_100000756562 [0,0,0,2,0,0|1,0,0]=3 10086 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CC3 34a_100016998360_100000742324 [0,0,0,2,0,0|1,0,0]=3 10087 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 2230a_100016998360_100011216344 [0,0,0,2,0,0|1,0,0]=3 10088 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 269982a_100016998360_102125554688 [0,0,0,2,0,0|1,0,0]=3 10089 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CO3 34a_100016998360_102125554688 [0,0,0,2,0,0|1,0,0]=3 10090 B16R3.6020 c1ccc(cc1)C[C@H]2CN2CC3CS3 269982a_100016998360_100000031435 [0,0,0,2,0,0|1,0,0]=3 10091 B16R3.6020 c1ccc(cc1)C[C@H]2CN2C[C@@H]3CO3 269982a_100016998360_100000745022 [0,0,0,2,0,0|1,0,0]=3 10092 B16R3.14531 F[C@@H]1C[C@H]1NC2Cc3ccccc3C2 34a_100025746932_100000753484 [0,0,0,2,0,0|0,1,0]=3 10093 B16R3.28685 CC1CCN1C2Cc3ccccc3C2 269982a_100000755817_100000753484 [0,0,0,2,0,0|1,0,0]=3 10094 B16R3.28685 CC1CCN1C2Cc3ccccc3C2 34a_100000755817_100000753484 [0,0,0,2,0,0|1,0,0]=3 10095 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CC3 2230a_100020588832_100000742324 [0,0,0,2,0,0|1,0,0]=3 10096 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CC3 34a_100020588832_100000742324 [0,0,0,2,0,0|1,0,0]=3 10097 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CO3 2230a_100020588832_100011216344 [0,0,0,2,0,0|1,0,0]=3 10098 B16R3.1790 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CO3 34a_100020588832_102125554688 [0,0,0,2,0,0|1,0,0]=3 10099 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 2230a_100000753258_100000742324 [0,0,0,2,0,0|1,0,0]=3 10100 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 269862a_100000753258_100000741477 [0,0,0,2,0,0|1,0,0]=3 10101 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 34a_100000735609_100000753484 [0,0,0,2,0,0|1,0,0]=3 10102 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 34a_100000753258_100000742324 [0,0,0,2,0,0|1,0,0]=3 10103 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CO3 2230a_100000753258_100011216344 [0,0,0,2,0,0|1,0,0]=3 10104 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CO3 34a_100000753258_102125554688 [0,0,0,2,0,0|1,0,0]=3 10105 B16R3.275948 c1ccc2c(c1)CC(C2)OCC3CC3 34a_100000211283_100000753484 [0,0,0,2,0,0|2,0,0]=4 10106 B16R3.275948 c1ccc2c(c1)CC(C2)OCC3CC3 34a_100011215286_100000742324 [0,0,0,2,0,0|2,0,0]=4 10107 B16R3.275948 c1ccc2c(c1)CC(C2)OCC3CO3 34a_100011215286_102125554688 [0,0,0,2,0,0|2,0,0]=4 10108 B16R3.275948 c1ccc2c(c1)CC(C2)OC[C@@H]3CO3 34a_100000757423_100000753484 [0,0,0,2,0,0|2,0,0]=4 10109 B16R3.275948 c1ccc2c(c1)CC(C2)SCC3CC3 62a_100000756562_100000753484 [0,0,0,2,0,0|2,0,0]=4 10110 B16R3.275948 c1ccc2c(c1)CC(C2)SCC3CO3 62a_102125554688_100000753484 [0,0,0,2,0,0|2,0,0]=4 10111 B16R3.275948 c1ccc2c(c1)CC(C2)SCC3CS3 62a_100000031435_100000753484 [0,0,0,2,0,0|2,0,0]=4 10112 B16R3.275948 c1ccc2c(c1)CC(C2)SC[C@@H]3CO3 62a_100000745022_100000753484 [0,0,0,2,0,0|2,0,0]=4 10113 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCC3 34a_100020588832_100000749161 [0,0,0,2,0,0|1,0,0]=3 10114 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3COC3 34a_100020588832_100009818527 [0,0,0,2,0,0|2,0,0]=4 10115 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 270004a_100000753258_100000241760 [0,0,0,2,0,0|1,0,0]=3 10116 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 34a_100000749019_100000753484 [0,0,0,2,0,0|1,0,0]=3 10117 B16R3.63995 c1ccc2c(c1)CC(C2)NC3CCC3 34a_100000753258_100000749161 [0,0,0,2,0,0|1,0,0]=3 10118 B16R3.63995 c1ccc2c(c1)CC(C2)NC3COC3 34a_100000753258_100009818527 [0,0,0,2,0,0|2,0,0]=4 10119 B16R3.63995 c1ccc2c(c1)CC(C2)OC3CCC3 34a_100000748187_100000753484 [0,0,0,2,0,0|2,0,0]=4 10120 B16R3.63995 c1ccc2c(c1)CC(C2)OC3CCC3 34a_100011215286_100000749161 [0,0,0,2,0,0|2,0,0]=4 10121 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [1,0,0,0,1,0|2,0,0]=4 10122 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [1,0,0,0,1,0|2,0,0]=4 10123 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [1,0,0,0,1,0|2,0,0]=4 10124 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [1,0,0,0,1,0|2,0,0]=4 10125 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [1,0,0,0,1,0|2,0,0]=4 10126 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [1,0,0,0,1,0|2,0,0]=4 10127 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [1,0,0,0,1,0|2,0,0]=4 10128 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [1,0,0,0,1,0|2,0,0]=4 10129 B12R1.37 CCCCNCCn1cccc1 2230a_100000102301_200009811947 [1,0,0,0,1,0|2,0,0]=4 10130 B12R1.37 CCCCNCCn1cccc1 34a_100011368172_100000210210 [1,0,0,0,1,0|2,0,0]=4 10131 B12R1.37 CCCCNCCn1cccc1 7a_106832991798_200000035178 [1,0,0,0,1,0|2,0,0]=4 10132 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [1,0,0,0,1,0|2,0,0]=4 10133 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [1,0,0,0,1,0|1,1,0]=4 10134 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [1,0,0,0,1,0|1,1,0]=4 10135 B12R1.37 FCCCNCCc1cccs1 2230a_100000203755_100011934791 [1,0,0,0,1,0|1,1,0]=4 10136 B12R1.37 FCCCNCCc1cccs1 2230a_100015189416_100000748579 [1,0,0,0,1,0|1,1,0]=4 10137 B12R1.37 FCCCNCCc1cccs1 34a_100000203755_100011934791 [1,0,0,0,1,0|1,1,0]=4 10138 B12R1.37 FCCCNCCc1cccs1 34a_100015189416_100000748579 [1,0,0,0,1,0|1,1,0]=4 10139 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [1,0,0,0,1,0|1,1,0]=4 10140 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [1,0,0,0,1,0|1,1,0]=4 10141 B12R1.37 FCCCNCCn1cccc1 2230a_100015189416_200009811947 [1,0,0,0,1,0|1,1,0]=4 10142 B12R1.37 FCCCNCCn1cccc1 34a_100011368172_100011934791 [1,0,0,0,1,0|1,1,0]=4 10143 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [1,0,0,0,1,0|2,0,0]=4 10144 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [1,0,0,0,1,0|2,0,0]=4 10145 B12R1.37 OCCCNCCc1cccs1 2230a_100000203755_100000230001 [1,0,0,0,1,0|2,0,0]=4 10146 B12R1.37 OCCCNCCc1cccs1 34a_100000203755_100000230001 [1,0,0,0,1,0|2,0,0]=4 10147 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [1,0,0,0,1,0|2,0,0]=4 10148 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [1,0,0,0,1,0|2,0,0]=4 10149 B12R1.37 OCCCNCCn1cccc1 34a_100011368172_100000230001 [1,0,0,0,1,0|2,0,0]=4 10150 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [1,0,0,0,1,0|0,0,2]=4 10151 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [1,0,0,0,1,0|0,0,2]=4 10152 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,0,0,0,1,0|0,0,2]=4 10153 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,0,0,0,1,0|0,0,2]=4 10154 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,0,0,0,1,0|1,1,0]=4 10155 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,0,0,0,1,0|1,1,0]=4 10156 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,0,0,0,1,0|1,1,0]=4 10157 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,0,0,0,1,0|1,1,0]=4 10158 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,0,0,0,1,0|1,1,0]=4 10159 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,0,0,1,0|0,1,0]=3 10160 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,0,0,1,0|0,1,0]=3 10161 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [1,0,0,0,1,0|1,1,0]=4 10162 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [1,0,0,0,1,0|1,1,0]=4 10163 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [1,0,0,0,1,0|1,1,0]=4 10164 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [1,0,0,0,1,0|1,1,0]=4 10165 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [1,0,0,0,1,0|1,1,0]=4 10166 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [1,0,0,0,1,0|1,1,0]=4 10167 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,0,0,1,0|1,0,0]=3 10168 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,0,0,1,0|1,0,0]=3 10169 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,0,0,1,0|1,0,0]=3 10170 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [1,0,0,0,1,0|2,0,0]=4 10171 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [1,0,0,0,1,0|2,0,0]=4 10172 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [1,0,0,0,1,0|2,0,0]=4 10173 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [1,0,0,0,1,0|2,0,0]=4 10174 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [1,0,0,0,1,0|2,0,0]=4 10175 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [1,0,0,0,1,0|2,0,0]=4 10176 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,0,0,0,1,0|1,1,0]=4 10177 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,0,0,0,1,0|2,0,0]=4 10178 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,0,0,0,1,0|1,1,0]=4 10179 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,0,0,0,1,0|1,1,0]=4 10180 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,0,0,0,1,0|2,0,0]=4 10181 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,0,0,0,1,0|2,0,0]=4 10182 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [1,0,0,0,1,0|2,0,0]=4 10183 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [1,0,0,0,1,0|2,0,0]=4 10184 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [1,0,0,0,1,0|2,0,0]=4 10185 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [1,0,0,0,1,0|2,0,0]=4 10186 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [1,0,0,0,1,0|2,0,0]=4 10187 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [1,0,0,0,1,0|2,0,0]=4 10188 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [1,0,0,0,1,0|2,0,0]=4 10189 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [1,0,0,0,1,0|2,0,0]=4 10190 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [1,0,0,0,1,0|2,0,0]=4 10191 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [1,0,0,0,1,0|1,0,1]=4 10192 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [1,0,0,0,1,0|1,0,1]=4 10193 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [1,0,0,0,1,0|1,0,1]=4 10194 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [1,0,0,0,1,0|1,0,1]=4 10195 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,0,0,1,0|0,0,0]=2 10196 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [1,0,0,0,1,0|1,0,0]=3 10197 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [1,0,0,0,1,0|1,0,0]=3 10198 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [1,0,0,0,1,0|1,0,0]=3 10199 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [1,0,0,0,1,0|1,0,0]=3 10200 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [1,0,0,0,1,0|2,0,0]=4 10201 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [1,0,0,0,1,0|1,0,0]=3 10202 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [1,0,0,0,1,0|1,0,0]=3 10203 B12R1.30 CCCNC(C)c1ccnnc1 269862a_100020643023_100012182992 [1,0,0,0,1,0|2,0,0]=4 10204 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [1,0,0,0,1,0|2,0,0]=4 10205 B12R1.30 CCCNC(C)c1cncnc1 269862a_100020643023_100000757475 [1,0,0,0,1,0|2,0,0]=4 10206 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [1,0,0,0,1,0|2,0,0]=4 10207 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [1,0,0,0,1,0|2,0,0]=4 10208 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,0,0,1,0|0,0,0]=2 10209 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [1,0,0,0,1,0|2,0,0]=4 10210 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,0,0,0,1,0|1,0,0]=3 10211 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,0,0,0,1,0|1,0,0]=3 10212 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,0,0,0,1,0|1,0,0]=3 10213 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,0,0,0,1,0|1,0,0]=3 10214 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,0,0,0,1,0|1,0,0]=3 10215 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,0,0,0,1,0|2,0,0]=4 10216 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,0,0,0,1,0|2,0,0]=4 10217 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,0,0,0,1,0|2,0,0]=4 10218 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,0,0,0,1,0|2,0,0]=4 10219 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,0,0,0,1,0|2,0,0]=4 10220 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,0,0,0,1,0|2,0,0]=4 10221 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,0,0,0,1,0|2,0,0]=4 10222 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,0,0,0,1,0|2,0,0]=4 10223 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,0,0,0,1,0|2,0,0]=4 10224 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [1,0,0,0,1,0|1,1,0]=4 10225 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [1,0,0,0,1,0|1,1,0]=4 10226 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [1,0,0,0,1,0|1,1,0]=4 10227 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,0,0,0,1,0|2,0,0]=4 10228 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,0,0,0,1,0|2,0,0]=4 10229 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,0,0,0,1,0|2,0,0]=4 10230 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,0,0,0,1,0|2,0,0]=4 10231 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,0,0,0,1,0|2,0,0]=4 10232 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,0,0,0,1,0|2,0,0]=4 10233 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,0,0,0,1,0|2,0,0]=4 10234 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [1,0,0,0,1,0|2,0,0]=4 10235 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [1,0,0,0,1,0|2,0,0]=4 10236 B12R1.30 COCNC(C)c1ccncc1 2230a_100000181269_100000766300 [1,0,0,0,1,0|2,0,0]=4 10237 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,0,0,1,0|1,0,0]=3 10238 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,0,0,0,1,0|2,0,0]=4 10239 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,0,0,0,1,0|2,0,0]=4 10240 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [1,0,0,0,1,0|2,0,0]=4 10241 B12R1.30 CSCNC(C)c1cccnc1 2230a_100000195435_100011218213 [1,0,0,0,1,0|2,0,0]=4 10242 B12R1.30 CSCNC(C)c1ccncc1 2230a_100000181269_100011218213 [1,0,0,0,1,0|2,0,0]=4 10243 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,0,0,1,0|1,0,0]=3 10244 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,0,0,0,1,0|2,0,0]=4 10245 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,0,0,0,1,0|2,0,0]=4 10246 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,0,0,0,1,0|2,0,0]=4 10247 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [1,0,0,0,1,0|1,0,1]=4 10248 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,0,0,0,1,0|1,0,1]=4 10249 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,0,0,1,0|0,1,0]=3 10250 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,0,0,1,0|1,0,0]=3 10251 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,0,0,0,1,0|1,1,0]=4 10252 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,0,0,0,1,0|1,1,0]=4 10253 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,0,0,0,1,0|2,0,0]=4 10254 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,0,0,0,1,0|2,0,0]=4 10255 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,0,0,0,1,0|2,0,0]=4 10256 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,0,0,0,1,0|2,0,0]=4 10257 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,0,0,0,1,0|2,0,0]=4 10258 B12R1.53 CC(Cc1ccco1)NCCO 270004a_100000210304_100011216958 [1,0,0,0,1,0|2,0,0]=4 10259 B12R1.53 CC(Cc1cccs1)NCCF 2230a_100000751415_100011217306 [1,0,0,0,1,0|1,1,0]=4 10260 B12R1.53 CC(Cc1cccs1)NCCO 2230a_100000751415_100000211926 [1,0,0,0,1,0|2,0,0]=4 10261 B12R1.53 CC(Cc1ccsc1)NCCF 2230a_100000743546_100011217306 [1,0,0,0,1,0|1,1,0]=4 10262 B12R1.53 CC(Cc1ccsc1)NCCF 34a_100000743546_100011217306 [1,0,0,0,1,0|1,1,0]=4 10263 B12R1.53 CC(Cc1ccsc1)NCCO 2230a_100000743546_100000211926 [1,0,0,0,1,0|2,0,0]=4 10264 B12R1.53 CC(Cc1ccsc1)NCCO 34a_100000743546_100000211926 [1,0,0,0,1,0|2,0,0]=4 10265 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [1,0,0,0,1,0|1,0,0]=3 10266 B12R1.53 CCCNC(C)Cc1cccs1 2230a_100000751415_100000210303 [1,0,0,0,1,0|1,0,0]=3 10267 B12R1.53 CCCNC(C)Cc1ccsc1 2230a_100000743546_100000210303 [1,0,0,0,1,0|1,0,0]=3 10268 B12R1.53 CCCNC(C)Cc1ccsc1 34a_100000743546_100000210303 [1,0,0,0,1,0|1,0,0]=3 10269 B12R1.53 CCCNC(C)Cn1cccn1 2230a_100000738251_100000210303 [1,0,0,0,1,0|2,0,0]=4 10270 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [1,0,0,0,1,0|2,0,0]=4 10271 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [1,0,0,0,1,0|2,0,0]=4 10272 B12R1.53 COCNC(C)Cc1cccs1 2230a_100000751415_100000766300 [1,0,0,0,1,0|2,0,0]=4 10273 B12R1.53 COCNC(C)Cc1ccsc1 2230a_100000743546_100000766300 [1,0,0,0,1,0|2,0,0]=4 10274 B12R1.53 CSCNC(C)Cc1cccs1 2230a_100000751415_100011218213 [1,0,0,0,1,0|2,0,0]=4 10275 B12R1.53 CSCNC(C)Cc1ccsc1 2230a_100000743546_100011218213 [1,0,0,0,1,0|2,0,0]=4 10276 B12R1.53 CSCNC(C)Cc1ccsc1 34a_100000743546_100011218213 [1,0,0,0,1,0|2,0,0]=4 10277 B12R1.35 CC(NCCCF)c1cc[nH]c1 269862a_100015189416_100000753940 [0,0,0,0,2,0|1,1,0]=4 10278 B12R1.35 CC(NCCCF)c1ccc[nH]1 269862a_100015189416_100000183661 [0,0,0,0,2,0|1,1,0]=4 10279 B12R1.35 CC(NCCCF)c1cccs1 2230a_100000703493_100011934791 [0,0,0,0,2,0|1,1,0]=4 10280 B12R1.35 CC(NCCCF)c1cccs1 269862a_100015189416_100000185736 [0,0,0,0,2,0|1,1,0]=4 10281 B12R1.35 CC(NCCCF)c1ccoc1 2230a_100000690049_100011934791 [0,0,0,0,2,0|1,1,0]=4 10282 B12R1.35 CC(NCCCF)c1ccsc1 2230a_100000748604_100011934791 [0,0,0,0,2,0|1,1,0]=4 10283 B12R1.35 CC(NCCCF)c1ccsc1 269862a_100015189416_100000747891 [0,0,0,0,2,0|1,1,0]=4 10284 B12R1.35 CC(NCCCO)c1cc[nH]c1 269862a_100000182051_100000753940 [0,0,0,0,2,0|2,0,0]=4 10285 B12R1.35 CC(NCCCO)c1ccc[nH]1 269862a_100000182051_100000183661 [0,0,0,0,2,0|2,0,0]=4 10286 B12R1.35 CC(NCCCO)c1cccs1 2230a_100000703493_100000230001 [0,0,0,0,2,0|2,0,0]=4 10287 B12R1.35 CC(NCCCO)c1cccs1 269862a_100000182051_100000185736 [0,0,0,0,2,0|2,0,0]=4 10288 B12R1.35 CC(NCCCO)c1ccoc1 2230a_100000690049_100000230001 [0,0,0,0,2,0|2,0,0]=4 10289 B12R1.35 CC(NCCCO)c1ccsc1 2230a_100000748604_100000230001 [0,0,0,0,2,0|2,0,0]=4 10290 B12R1.35 CC(NCCCO)c1ccsc1 269862a_100000182051_100000747891 [0,0,0,0,2,0|2,0,0]=4 10291 B12R1.35 CCCCNC(C)c1cc[nH]c1 269862a_100000102301_100000753940 [0,0,0,0,2,0|2,0,0]=4 10292 B12R1.35 CCCCNC(C)c1ccc[nH]1 269862a_100000102301_100000183661 [0,0,0,0,2,0|2,0,0]=4 10293 B12R1.35 CCCCNC(C)c1cccs1 2230a_100000703493_100000210211 [0,0,0,0,2,0|2,0,0]=4 10294 B12R1.35 CCCCNC(C)c1cccs1 269862a_100000102301_100000185736 [0,0,0,0,2,0|2,0,0]=4 10295 B12R1.35 CCCCNC(C)c1ccoc1 2230a_100000690049_100000210211 [0,0,0,0,2,0|2,0,0]=4 10296 B12R1.35 CCCCNC(C)c1ccsc1 2230a_100000748604_100000210211 [0,0,0,0,2,0|2,0,0]=4 10297 B12R1.35 CCCCNC(C)c1ccsc1 269862a_100000102301_100000747891 [0,0,0,0,2,0|2,0,0]=4 10298 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [0,0,0,0,2,0|2,0,0]=4 10299 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [0,0,0,0,2,0|1,1,0]=4 10300 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,0,0,0,2,0|2,0,0]=4 10301 B16R1.1694 C#CCCNC(C)CCCc1ccccc1 34a_100000755551_200010759516 [0,0,0,0,0,2|1,0,1]=4 10302 B16R1.1694 C=CCCNC(C)CCCc1ccccc1 2230a_100015191253_200010759516 [0,0,0,0,0,2|1,0,1]=4 10303 B16R1.1694 C=CCCNC(C)COCc1ccccc1 270004a_100015191253_100011215004 [0,0,0,0,0,2|1,0,1]=4 10304 B16R1.1694 C=CCCNC(C)CSCc1ccccc1 270004a_100015191253_100000172147 [0,0,0,0,0,2|1,0,1]=4 10305 B16R1.1694 CC(CCCc1ccccc1)NCCCF 2230a_100015189416_200010759516 [0,0,0,0,0,2|0,1,0]=3 10306 B16R1.1694 CC(CCCc1ccccc1)NCCCF 34a_100015189416_200010759516 [0,0,0,0,0,2|0,1,0]=3 10307 B16R1.1694 CC(CCCc1ccccc1)OCCCBr 34a_100011217188_200010759516 [0,0,0,0,0,2|1,1,0]=4 10308 B16R1.1694 CC(CCCc1ccccc1)OCCCCl 34a_100000230001_200010759516 [0,0,0,0,0,2|1,0,0]=3 10309 B16R1.1694 CC(CCCc1ccccc1)OCCCF 34a_100000759539_200010759516 [0,0,0,0,0,2|1,1,0]=4 10310 B16R1.1694 CC(CCCc1ccccc1)OCCCN 34a_100000182051_200010759516 [0,0,0,0,0,2|2,0,0]=4 10311 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_100011934791_200010759516 [0,0,0,0,0,2|1,1,0]=4 10312 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_200010759516_100011934791 [0,0,0,0,0,2|1,1,0]=4 10313 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_100011215043_200010759516 [0,0,0,0,0,2|2,0,0]=4 10314 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_200010759516_100011215043 [0,0,0,0,0,2|2,0,0]=4 10315 B16R1.1694 CC(COCc1ccccc1)NCCC#N 270004a_100000720768_100011215004 [0,0,0,0,0,2|1,0,1]=4 10316 B16R1.1694 CC(COCc1ccccc1)NCCCF 270004a_100015189416_100011215004 [0,0,0,0,0,2|0,1,0]=3 10317 B16R1.1694 CC(COCc1ccccc1)NCCCO 270004a_100000182051_100011215004 [0,0,0,0,0,2|1,0,0]=3 10318 B16R1.1694 CC(COCc1ccccc1)OCCCF 34a_100000764311_100011934791 [0,0,0,0,0,2|1,1,0]=4 10319 B16R1.1694 CC(COCc1ccccc1)OCCCF 7a_100000764311_100011934791 [0,0,0,0,0,2|1,1,0]=4 10320 B16R1.1694 CC(COCc1ccccc1)OCCCO 34a_100000764311_100000230001 [0,0,0,0,0,2|2,0,0]=4 10321 B16R1.1694 CC(COCc1ccccc1)OCCCO 7a_100000764311_100011215043 [0,0,0,0,0,2|2,0,0]=4 10322 B16R1.1694 CC(CSCc1ccccc1)NCCC#N 270004a_100000720768_100000172147 [0,0,0,0,0,2|1,0,1]=4 10323 B16R1.1694 CC(CSCc1ccccc1)NCCCF 270004a_100015189416_100000172147 [0,0,0,0,0,2|0,1,0]=3 10324 B16R1.1694 CC(CSCc1ccccc1)NCCCO 270004a_100000182051_100000172147 [0,0,0,0,0,2|1,0,0]=3 10325 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000106460_200011218191 [0,0,0,0,0,2|2,0,0]=4 10326 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000211957_100000765856 [0,0,0,0,0,2|2,0,0]=4 10327 B16R1.1694 CCCCCC(C)NCCc1ccccc1 270004a_100000106460_100000211708 [0,0,0,0,0,2|2,0,0]=4 10328 B16R1.1694 CCCCCC(C)NCCc1ccccc1 34a_100000106460_200011218191 [0,0,0,0,0,2|2,0,0]=4 10329 B16R1.1694 CCCCCC(C)NCSc1ccccc1 2230a_100000211957_100011218342 [0,0,0,0,0,2|2,0,0]=4 10330 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100000210268_200011218191 [0,0,0,0,0,2|2,0,0]=4 10331 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100011215632_100000765856 [0,0,0,0,0,2|2,0,0]=4 10332 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100000210268_200011218191 [0,0,0,0,0,2|2,0,0]=4 10333 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100011215632_100000765856 [0,0,0,0,0,2|2,0,0]=4 10334 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_100000765856_200011218191 [0,0,0,0,0,2|2,0,0]=4 10335 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_200011218191_100011218657 [0,0,0,0,0,2|2,0,0]=4 10336 B16R1.1694 CCCCCC(C)SCSc1ccccc1 62a_100011218342_200011218191 [0,0,0,0,0,2|2,0,0]=4 10337 B16R1.1694 CCCCCC(C)SCSc1ccccc1 62a_200011218191_100011218342 [0,0,0,0,0,2|2,0,0]=4 10338 B16R1.1694 CCCCNC(C)CCCc1ccccc1 2230a_100000102301_200010759516 [0,0,0,0,0,2|1,0,0]=3 10339 B16R1.1694 CCCCNC(C)CCCc1ccccc1 7a_106832991798_200010759516 [0,0,0,0,0,2|1,0,0]=3 10340 B16R1.1694 CCCCNC(C)COCc1ccccc1 270004a_100000102301_100011215004 [0,0,0,0,0,2|1,0,0]=3 10341 B16R1.1694 CCCCNC(C)CSCc1ccccc1 270004a_100000102301_100000172147 [0,0,0,0,0,2|1,0,0]=3 10342 B16R1.1694 CCCCOC(C)CCCc1ccccc1 34a_100000210227_200010759516 [0,0,0,0,0,2|2,0,0]=4 10343 B16R1.1694 CCCCOC(C)CCCc1ccccc1 7a_100000210227_200010759516 [0,0,0,0,0,2|2,0,0]=4 10344 B16R1.1694 CCCCOC(C)COCc1ccccc1 34a_100000764311_100000210210 [0,0,0,0,0,2|2,0,0]=4 10345 B16R1.1694 CCCCOC(C)COCc1ccccc1 7a_100000764311_100000210211 [0,0,0,0,0,2|2,0,0]=4 10346 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_100000210211_200010759516 [0,0,0,0,0,2|2,0,0]=4 10347 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_200010759516_100000210210 [0,0,0,0,0,2|2,0,0]=4 10348 B16R1.1694 COCCNC(C)CCCc1ccccc1 2230a_100000209980_200010759516 [0,0,0,0,0,2|2,0,0]=4 10349 B16R1.1694 COCCNC(C)COCc1ccccc1 270004a_100000209980_100011215004 [0,0,0,0,0,2|2,0,0]=4 10350 B16R1.1694 COCCNC(C)CSCc1ccccc1 270004a_100000209980_100000172147 [0,0,0,0,0,2|2,0,0]=4 10351 B16R1.1694 CSCCNC(C)CCCc1ccccc1 2230a_100020590264_200010759516 [0,0,0,0,0,2|2,0,0]=4 10352 B16R1.1694 CSCCNC(C)COCc1ccccc1 270004a_100020590264_100011215004 [0,0,0,0,0,2|2,0,0]=4 10353 B16R1.1694 CSCCNC(C)CSCc1ccccc1 270004a_100020590264_100000172147 [0,0,0,0,0,2|2,0,0]=4