0 B15R1.1035 CCCCCC(=Cc1cncnc1)C#N 6a_100000749868_100011218096 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.1035 CCCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210326 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.1035 CCCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210215 [0,0,0,0,0,0|2,0,1]=3 3 B15R1.1035 CCCCCN(CC)Cc1ccccn1 2230a_100000201164_100000210326 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.1035 CCCCCN(CC)Cc1ccccn1 269982a_100000201164_100000210215 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.1035 CCCCCN(CC)Cc1cccnc1 2230a_100000186920_100000210326 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.1035 CCCCCN(CC)Cc1cccnc1 269982a_100000186920_100000210215 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.1035 CCCCCN(CC)Cc1ccncc1 2230a_100000186919_100000210326 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.1035 CCCCCN(CC)Cc1ccncc1 269982a_100000186919_100000210215 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.1035 CCCCNC(CC)Cc1ccccc1 270004a_100000102301_100000212045 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.1035 CCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210211 [0,0,0,0,0,0|1,0,2]=3 11 B15R1.1035 CCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210211 [0,0,0,0,0,0|2,0,2]=4 12 B15R1.1035 CCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210211 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.1035 CCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210211 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.1035 CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000210210 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.1035 CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210211 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.1035 CCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210303 [0,0,0,0,0,0|1,0,2]=3 17 B15R1.1035 CCCNN=C(CC)Cc1ccccc1 4a_100000740057_100000212045 [0,0,0,0,0,0|3,0,1]=4 18 B15R1.1035 CCCOCC(CN)Cc1ccccc1 34a_100160572655_100000210303 [0,0,0,0,0,0|2,0,2]=4 19 B15R1.1035 CCN(CCCCF)Cc1ccccc1 2230a_100000186914_100000729493 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.1035 CCN(CCCCF)Cc1ccccc1 269982a_100000186914_100000729493 [0,0,0,0,0,0|3,0,1]=4 21 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100000186360_100000210202 [0,0,0,0,0,0|3,0,1]=4 22 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100000186914_100000210776 [0,0,0,0,0,0|3,0,1]=4 23 B15R1.1035 CCN(CCCCO)Cc1ccccc1 2230a_100011217355_100015291786 [0,0,0,0,0,0|3,0,1]=4 24 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100000186360_100000204670 [0,0,0,0,0,0|3,0,1]=4 25 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100000186914_100000210776 [0,0,0,0,0,0|3,0,1]=4 26 B15R1.1035 CCN(CCCCO)Cc1ccccc1 269982a_100011217355_100000211182 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.1035 CCN(CCCCO)Cc1ccccc1 270004a_100011217355_100015611070 [0,0,0,0,0,0|3,0,1]=4 28 B15R1.1035 CCN(CCCOC)Cc1ccccc1 2230a_100000186914_100000740836 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.1035 CCN(CCCOC)Cc1ccccc1 2230a_100000707625_100000210202 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.1035 CCN(CCCOC)Cc1ccccc1 269982a_100000186914_100000740836 [0,0,0,0,0,0|3,0,1]=4 31 B15R1.1035 CCN(CCCOC)Cc1ccccc1 269982a_100000707625_100000204670 [0,0,0,0,0,0|3,0,1]=4 32 B15R1.1035 CCOCCN(CC)Cc1ccccc1 2230a_100000186914_100011215890 [0,0,0,0,0,0|3,0,1]=4 33 B15R1.1035 CCOCCN(CC)Cc1ccccc1 269982a_100000186914_100011215890 [0,0,0,0,0,0|3,0,1]=4 34 B15R1.1035 CCSCCN(CC)Cc1ccccc1 2230a_100000186914_100000757381 [0,0,0,0,0,0|3,0,1]=4 35 B15R1.1035 CCSCCN(CC)Cc1ccccc1 269982a_100000186914_100000757381 [0,0,0,0,0,0|3,0,1]=4 36 B15R1.1035 COCCCN(CF)Cc1ccccc1 269982a_100000707625_100015361967 [0,0,0,0,0,0|3,0,1]=4 37 B15R1.1035 COCCNC(CO)Cc1ccccc1 2230a_100000739027_100011201679 [0,0,0,0,0,0|2,0,2]=4 38 B15R1.1035 CSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000751147 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.1035 CSCNCC(CO)Cc1ccccc1 34a_100160572655_100011218213 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.1035 OCC(CNCCF)Cc1ccccc1 34a_100160572655_100011217306 [0,0,0,0,0,0|2,0,2]=4 41 B15R1.1035 OCC(Cc1ccccc1)NCCCF 2230a_100000739027_100011934791 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.1035 OCCCCN(CF)Cc1ccccc1 269982a_100000186360_100015361967 [0,0,0,0,0,0|3,0,1]=4 43 B15R1.1035 OCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000230001 [0,0,0,0,0,0|2,0,2]=4 44 B15R1.1035 OCCNCC(CO)Cc1ccccc1 34a_100160572655_100000211926 [0,0,0,0,0,0|2,0,2]=4 45 B14R1.158 C#CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000184674 [1,0,0,0,0,0|1,0,2]=4 46 B14R1.158 C#CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000038162 [1,0,0,0,0,0|1,0,2]=4 47 B14R1.158 C/C(=C\c1ccccc1)/COCC#N 7a_200025717232_100011215382 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 34a_200025717232_200009817547 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 7a_200025717232_200015260668 [1,0,0,0,0,0|2,0,1]=4 50 B14R1.158 C/C(=C\c1ccccc1)/COCCF 34a_200025717232_100011217306 [1,0,0,0,0,0|2,0,0]=3 51 B14R1.158 C/C(=C\c1ccccc1)/COCCF 7a_200025717232_100011217306 [1,0,0,0,0,0|2,0,0]=3 52 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [1,0,0,0,0,0|2,0,0]=3 53 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [1,0,0,0,0,0|2,0,0]=3 54 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100015514636 [1,0,0,0,0,0|1,0,2]=4 55 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100015514636 [1,0,0,0,0,0|1,0,2]=4 56 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [1,0,0,0,0,0|1,0,2]=4 57 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [1,0,0,0,0,0|0,0,2]=3 58 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [1,0,0,0,0,0|1,0,2]=4 59 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [1,0,0,0,0,0|1,0,2]=4 60 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [1,0,0,0,0,0|1,0,2]=4 61 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [1,0,0,0,0,0|1,0,2]=4 62 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [1,0,0,0,0,0|1,0,2]=4 63 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [1,0,0,0,0,0|1,0,1]=3 64 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [1,0,0,0,0,0|1,0,1]=3 65 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [1,0,0,0,0,0|1,0,1]=3 66 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [1,0,0,0,0,0|1,0,1]=3 67 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [1,0,0,0,0,0|1,0,1]=3 68 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [1,0,0,0,0,0|1,0,1]=3 69 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [1,0,0,0,0,0|1,0,1]=3 70 B14R1.158 CCCCCC(C)Oc1cccnc1 34a_100000210849_200011218191 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.158 CCCCCC(C)Oc1cccnc1 7a_100000210849_200011218191 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.158 CCCCCC(C)Oc1ccncc1 34a_100000212176_200011218191 [1,0,0,0,0,0|2,0,1]=4 73 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [1,0,0,0,0,0|1,0,1]=3 74 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [1,0,0,0,0,0|1,0,1]=3 75 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_100011216584_200011218191 [1,0,0,0,0,0|2,0,1]=4 76 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_200011218191_100011216584 [1,0,0,0,0,0|2,0,1]=4 77 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_100000210063_200011218191 [1,0,0,0,0,0|2,0,1]=4 78 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_200011218191_100000210063 [1,0,0,0,0,0|2,0,1]=4 79 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_100000728582_200011218191 [1,0,0,0,0,0|2,0,1]=4 80 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_200011218191_100000728582 [1,0,0,0,0,0|2,0,1]=4 81 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [1,0,0,0,0,0|1,0,1]=3 82 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [1,0,0,0,0,0|1,0,1]=3 83 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [1,0,0,0,0,0|1,0,1]=3 84 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [1,0,0,0,0,0|1,0,1]=3 85 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [1,0,0,0,0,0|1,0,1]=3 86 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000207498_100000210326 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000223495_100000721315 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000207498_100000210215 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000223495_100000721315 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.158 CCCCCN(C)Cc1ccccn1 270004a_100000223495_100000209966 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000184577_100000210326 [1,0,0,0,0,0|2,0,1]=4 92 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000223495_100000741622 [1,0,0,0,0,0|2,0,1]=4 93 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000184577_100000210215 [1,0,0,0,0,0|2,0,1]=4 94 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000223495_100000733263 [1,0,0,0,0,0|2,0,1]=4 95 B14R1.158 CCCCCN(C)Cc1cccnc1 270004a_100000223495_100000209961 [1,0,0,0,0,0|2,0,1]=4 96 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000187231_100000210326 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000223495_100015193705 [1,0,0,0,0,0|2,0,1]=4 98 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000187231_100000210215 [1,0,0,0,0,0|2,0,1]=4 99 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000223495_100015193705 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [1,0,0,0,0,0|1,0,2]=4 102 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [1,0,0,0,0,0|1,0,2]=4 103 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [1,0,0,0,0,0|1,0,2]=4 104 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [1,0,0,0,0,0|1,0,2]=4 105 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [1,0,0,0,0,0|1,0,2]=4 106 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [1,0,0,0,0,0|1,0,2]=4 107 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [1,0,0,0,0,0|1,0,2]=4 108 B14R1.158 CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210303 [1,0,0,0,0,0|2,0,1]=4 109 B14R1.158 CCCNCC(C)Oc1ccccc1 34a_100000755676_100000210303 [1,0,0,0,0,0|2,0,1]=4 110 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [1,0,0,0,0,0|1,0,2]=4 111 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210303 [1,0,0,0,0,0|1,0,0]=2 112 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210303 [1,0,0,0,0,0|1,0,0]=2 113 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [1,0,0,0,0,0|1,0,2]=4 114 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [1,0,0,0,0,0|2,0,1]=4 115 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [1,0,0,0,0,0|2,0,1]=4 116 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [1,0,0,0,0,0|2,0,1]=4 117 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [1,0,0,0,0,0|2,0,1]=4 118 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [1,0,0,0,0,0|2,0,1]=4 119 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [1,0,0,0,0,0|2,0,1]=4 120 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [1,0,0,0,0,0|2,0,1]=4 121 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [1,0,0,0,0,0|1,0,2]=4 122 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [1,0,0,0,0,0|1,0,2]=4 123 B14R1.158 CCCOCC(C)Oc1ccccc1 34a_200000036796_100000210303 [1,0,0,0,0,0|2,0,1]=4 124 B14R1.158 CCCOCC(C)Oc1ccccc1 7a_200000036796_100000210303 [1,0,0,0,0,0|2,0,1]=4 125 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [1,0,0,0,0,0|1,0,2]=4 126 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [1,0,0,0,0,0|1,0,2]=4 127 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [1,0,0,0,0,0|1,0,2]=4 128 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [1,0,0,0,0,0|1,0,2]=4 129 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [1,0,0,0,0,0|2,0,1]=4 130 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [1,0,0,0,0,0|2,0,1]=4 131 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [1,0,0,0,0,0|2,0,1]=4 132 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [1,0,0,0,0,0|2,0,1]=4 133 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [1,0,0,0,0,0|2,0,1]=4 134 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [1,0,0,0,0,0|2,0,1]=4 135 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [1,0,0,0,0,0|2,0,1]=4 136 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [1,0,0,0,0,0|2,0,1]=4 137 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000210303_100000729385 [1,0,0,0,0,0|1,0,2]=4 138 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210303 [1,0,0,0,0,0|1,0,2]=4 139 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [1,0,0,0,0,0|2,0,1]=4 140 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [1,0,0,0,0,0|2,0,1]=4 141 B14R1.158 CCNCCN(C)Cc1ccccc1 2230a_100015525214_100015196923 [1,0,0,0,0,0|2,0,1]=4 142 B14R1.158 CCNN=C/C(=C/c1ccccc1)/C 4a_100000756455_100016997181 [1,0,0,0,0,0|2,0,1]=4 143 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [1,0,0,0,0,0|1,0,2]=4 144 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [1,0,0,0,0,0|2,0,1]=4 145 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [1,0,0,0,0,0|2,0,1]=4 146 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [1,0,0,0,0,0|2,0,1]=4 147 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [1,0,0,0,0,0|2,0,1]=4 148 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [1,0,0,0,0,0|2,0,1]=4 149 B14R1.158 CCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215890 [1,0,0,0,0,0|2,0,1]=4 150 B14R1.158 CCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215890 [1,0,0,0,0,0|2,0,1]=4 151 B14R1.158 CCOCCN(C)Cc1ccccc1 34a_100121572206_100015196923 [1,0,0,0,0,0|2,0,1]=4 152 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [1,0,0,0,0,0|1,0,2]=4 153 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [1,0,0,0,0,0|2,0,1]=4 154 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [1,0,0,0,0,0|2,0,1]=4 155 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [1,0,0,0,0,0|2,0,1]=4 156 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [1,0,0,0,0,0|2,0,1]=4 157 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [1,0,0,0,0,0|2,0,1]=4 158 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [1,0,0,0,0,0|2,0,1]=4 159 B14R1.158 CCSCCN(C)Cc1ccccc1 2230a_100000186898_100000757381 [1,0,0,0,0,0|2,0,1]=4 160 B14R1.158 CCSCCN(C)Cc1ccccc1 269982a_100000186898_100000757381 [1,0,0,0,0,0|2,0,1]=4 161 B14R1.158 CCSCCN(C)Cc1ccccc1 62a_100000210202_100015196923 [1,0,0,0,0,0|2,0,1]=4 162 B14R1.158 CN(CCCCF)Cc1ccccc1 2230a_100000186898_100000729493 [1,0,0,0,0,0|2,0,1]=4 163 B14R1.158 CN(CCCCF)Cc1ccccc1 269982a_100000186898_100000729493 [1,0,0,0,0,0|2,0,1]=4 164 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186360_200000210301 [1,0,0,0,0,0|2,0,1]=4 165 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186898_100000210776 [1,0,0,0,0,0|2,0,1]=4 166 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000717598_100015291786 [1,0,0,0,0,0|2,0,1]=4 167 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186360_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186898_100000210776 [1,0,0,0,0,0|2,0,1]=4 169 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000717598_100000211182 [1,0,0,0,0,0|2,0,1]=4 170 B14R1.158 CN(CCCCO)Cc1ccccc1 270004a_100000717598_100015611070 [1,0,0,0,0,0|2,0,1]=4 171 B14R1.158 CNCCCC(=O)Nc1ccccc1 2230a_106832991635_100011194425 [1,0,0,0,0,0|2,0,1]=4 172 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100000750157_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100102657272_100011194425 [1,0,0,0,0,0|2,0,1]=4 174 B14R1.158 CNCCCC(=O)Nc1ccccc1 7a_106832991635_100011194425 [1,0,0,0,0,0|2,0,1]=4 175 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [1,0,0,0,0,0|1,0,2]=4 176 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [1,0,0,0,0,0|2,0,1]=4 177 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [1,0,0,0,0,0|2,0,1]=4 178 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [1,0,0,0,0,0|2,0,1]=4 179 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [1,0,0,0,0,0|2,0,1]=4 180 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [1,0,0,0,0,0|2,0,1]=4 181 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000186898_100000740836 [1,0,0,0,0,0|2,0,1]=4 182 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000224831_100015291786 [1,0,0,0,0,0|2,0,1]=4 183 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000707625_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000186898_100000740836 [1,0,0,0,0,0|2,0,1]=4 185 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000224831_100000211182 [1,0,0,0,0,0|2,0,1]=4 186 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000707625_200000210301 [1,0,0,0,0,0|2,0,1]=4 187 B14R1.158 COCCCN(C)Cc1ccccc1 270004a_100000224831_100015611070 [1,0,0,0,0,0|2,0,1]=4 188 B14R1.158 COCCCN([13CH3])Cc1ccccc1 2230a_100000707625_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B14R1.158 COCCCN([13CH3])Cc1ccccc1 269982a_100000707625_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [1,0,0,0,0,0|1,0,2]=4 191 B14R1.158 CSCCCC(=O)Nc1ccccc1 11a_100000106764_100000173376 [1,0,0,0,0,0|2,0,1]=4 192 B14R1.158 CSCCCC(=O)Nc1ccccc1 1626a_100000106764_100000173376 [1,0,0,0,0,0|2,0,1]=4 193 B14R1.158 CSCCCC(=O)Nc1ccccc1 22a_100000106764_100000173376 [1,0,0,0,0,0|2,0,1]=4 194 B14R1.158 CSCCCC(=O)Nc1ccccc1 527a_100000106764_100000173376 [1,0,0,0,0,0|2,0,1]=4 195 B14R1.158 CSCCCC(=O)Nc1ccccc1 62a_200000210301_100011194425 [1,0,0,0,0,0|2,0,1]=4 196 B14R1.158 CSCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011218213 [1,0,0,0,0,0|2,0,0]=3 197 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [1,0,0,0,0,0|1,0,2]=4 198 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [1,0,0,0,0,0|2,0,1]=4 199 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 2230a_100000186360_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 269982a_100000186360_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B14R1.158 [13CH3]NCCCC(=O)Nc1ccccc1 34a_100000750157_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B14R1.158 [13CH3]SCCCC(=O)Nc1ccccc1 62a_200025704644_100011194425 [1,0,0,0,0,0|2,0,1]=4 203 B14R1.467 CCCCC(CC)Nc1ccccc1 34a_100000106764_200011216223 [1,0,0,0,0,0|2,0,1]=4 204 B14R1.467 CCCCC(CC)Oc1ccccc1 34a_100000210340_200011216223 [1,0,0,0,0,0|2,0,1]=4 205 B14R1.467 CCCCC(CC)Oc1ccccc1 7a_100000210340_200011216223 [1,0,0,0,0,0|2,0,1]=4 206 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_100000719477_200011216223 [1,0,0,0,0,0|2,0,1]=4 207 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_200011216223_100000041952 [1,0,0,0,0,0|2,0,1]=4 208 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210211 [1,0,0,0,0,0|2,0,1]=4 209 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000207695_100015291786 [1,0,0,0,0,0|2,0,1]=4 210 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_200000196024_100000210202 [1,0,0,0,0,0|2,0,1]=4 211 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210211 [1,0,0,0,0,0|2,0,1]=4 212 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000207695_100000211182 [1,0,0,0,0,0|2,0,1]=4 213 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_200000196024_100000204670 [1,0,0,0,0,0|2,0,1]=4 214 B14R1.467 CCCCN(CC)Cc1ccccc1 270004a_100000207695_100015611070 [1,0,0,0,0,0|2,0,1]=4 215 B14R1.467 CCCCN(CF)Cc1ccccc1 269982a_200000196024_100015361967 [1,0,0,0,0,0|2,0,1]=4 216 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [1,0,0,0,0,0|1,0,2]=4 217 B14R1.467 CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210202 [1,0,0,0,0,0|1,0,2]=4 218 B16R1.126 CCCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210211 [0,1,0,0,0,0|1,0,2]=4 219 B16R1.126 CCCCC(C)N(CC)Cc1ccccc1 2230a_100000186914_200011215066 [0,1,0,0,0,0|2,0,1]=4 220 B16R1.126 CCCCC(C)N(CC)Cc1ccccc1 269982a_100000186914_200011215066 [0,1,0,0,0,0|2,0,1]=4 221 B16R1.126 CCCCC(C)N(CC)Cc1ccccc1 270004a_100000186914_100000210087 [0,1,0,0,0,0|2,0,1]=4 222 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210211 [0,1,0,0,0,0|1,0,2]=4 223 B16R1.126 CCCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210211 [0,1,0,0,0,0|1,0,2]=4 224 B16R1.936 CCCC(C)CN(CC)Cc1ccccc1 2230a_100000186914_100011216630 [0,1,0,0,0,0|2,0,1]=4 225 B16R1.936 CCCC(C)CN(CC)Cc1ccccc1 269982a_100000186914_100011216630 [0,1,0,0,0,0|2,0,1]=4 226 B16R1.936 CCCC(C)CN(CC)Cc1ccccc1 270004a_100000186914_100000243154 [0,1,0,0,0,0|2,0,1]=4 227 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000766640 [0,1,0,0,0,0|1,0,2]=4 228 B16R1.936 CCCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000211909 [0,1,0,0,0,0|1,0,2]=4 229 B16R1.1230 CCCCCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_100011218096 [0,1,0,0,0,0|1,0,1]=3 230 B16R1.1230 CCCCCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_100011218096 [0,1,0,0,0,0|1,0,1]=3 231 B16R1.1230 CCCCCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_100011218096 [0,1,0,0,0,0|1,0,1]=3 232 B16R1.1230 CCCCCC(=Cc1ccc(cn1)Br)C#N 6a_100000754260_100011218096 [0,1,0,0,0,0|2,0,1]=4 233 B16R1.1230 CCCCCC(=Cc1ccc(cn1)F)C#N 6a_100011934744_100011218096 [0,1,0,0,0,0|2,0,1]=4 234 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Br 2230a_100000187385_100000210326 [0,1,0,0,0,0|2,0,1]=4 235 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Br 269982a_100000187385_100000210215 [0,1,0,0,0,0|2,0,1]=4 236 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)C 2230a_100000180869_100000210326 [0,1,0,0,0,0|2,0,1]=4 237 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)C 269982a_100000180869_100000210215 [0,1,0,0,0,0|2,0,1]=4 238 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 2230a_100000180830_100000210326 [0,1,0,0,0,0|2,0,1]=4 239 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 2230a_100000189089_100000210202 [0,1,0,0,0,0|2,0,1]=4 240 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 269982a_100000180830_100000210215 [0,1,0,0,0,0|2,0,1]=4 241 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 269982a_100000189089_100000204670 [0,1,0,0,0,0|2,0,1]=4 242 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 34a_100000189089_100000210202 [0,1,0,0,0,0|2,0,1]=4 243 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 2230a_100000180876_100000210202 [0,1,0,0,0,0|2,0,1]=4 244 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 2230a_100015183324_100000210326 [0,1,0,0,0,0|2,0,1]=4 245 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 269982a_100000180876_100000204670 [0,1,0,0,0,0|2,0,1]=4 246 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 269982a_100015183324_100000210215 [0,1,0,0,0,0|2,0,1]=4 247 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 34a_100000180876_100000210202 [0,1,0,0,0,0|2,0,1]=4 248 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 34a_100015183324_100000718602 [0,1,0,0,0,0|2,0,1]=4 249 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)O 269982a_100000748449_100000210215 [0,1,0,0,0,0|2,0,1]=4 250 B16R1.1230 CCCCCN(CF)Cc1ccc(cc1)Cl 269982a_100000189089_100015361967 [0,1,0,0,0,0|2,0,1]=4 251 B16R1.1230 CCCCCN(CF)Cc1ccc(cc1)Cl 34a_100000189089_100015361967 [0,1,0,0,0,0|2,0,1]=4 252 B16R1.1230 CCCCCN(CF)Cc1ccc(cc1)F 269982a_100000180876_100015361967 [0,1,0,0,0,0|2,0,1]=4 253 B16R1.1230 CCCCCN(CF)Cc1ccc(cc1)F 34a_100000180876_100015361967 [0,1,0,0,0,0|2,0,1]=4 254 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000210211 [0,1,0,0,0,0|1,0,2]=4 255 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000210210 [0,1,0,0,0,0|1,0,2]=4 256 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210211 [0,1,0,0,0,0|1,0,2]=4 257 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000210210 [0,1,0,0,0,0|1,0,2]=4 258 B16R1.1230 COCCCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_100000747464 [0,1,0,0,0,0|2,0,1]=4 259 B16R1.1230 COCCCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_100000747464 [0,1,0,0,0,0|2,0,1]=4 260 B16R1.1230 COCCCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_100000747464 [0,1,0,0,0,0|2,0,1]=4 261 B16R1.1230 N#CC(=Cc1ccc(cc1)Br)CCCCBr 6a_100000186029_100009813376 [0,1,0,0,0,0|2,0,1]=4 262 B16R1.1230 N#CC(=Cc1ccc(cc1)F)CCCCBr 6a_100000210084_100009813376 [0,1,0,0,0,0|2,0,1]=4 263 B16R1.1230 N#CC(=Cc1ccc(cc1)I)CCCCBr 6a_100000188517_100009813376 [0,1,0,0,0,0|2,0,1]=4 264 B16R1.1231 CCCCCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_100011218096 [0,1,0,0,0,0|1,0,1]=3 265 B16R1.1231 CCCCCC(=Cc1cccc(c1)F)C#N 6a_100000210812_100011218096 [0,1,0,0,0,0|1,0,1]=3 266 B16R1.1231 CCCCCC(=Cc1cccc(c1)I)C#N 6a_100000014684_100011218096 [0,1,0,0,0,0|1,0,1]=3 267 B16R1.1231 CCCCCC(=Cc1cncc(c1)Br)C#N 6a_100000687066_100011218096 [0,1,0,0,0,0|2,0,1]=4 268 B16R1.1231 CCCCCC(=Cc1cncc(c1)C)C#N 6a_100011998712_100011218096 [0,1,0,0,0,0|2,0,1]=4 269 B16R1.1231 CCCCCC(=Cc1cncc(c1)Cl)C#N 6a_100000088910_100011218096 [0,1,0,0,0,0|2,0,1]=4 270 B16R1.1231 CCCCCC(=Cc1cncc(c1)F)C#N 6a_100011361476_100011218096 [0,1,0,0,0,0|2,0,1]=4 271 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)Br 2230a_100000187426_100000210326 [0,1,0,0,0,0|2,0,1]=4 272 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)Br 269982a_100000187426_100000210215 [0,1,0,0,0,0|2,0,1]=4 273 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)C 2230a_102516607250_100000210326 [0,1,0,0,0,0|2,0,1]=4 274 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)C 269982a_102516607250_100000210215 [0,1,0,0,0,0|2,0,1]=4 275 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)Cl 2230a_100000201194_100000210326 [0,1,0,0,0,0|2,0,1]=4 276 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)Cl 269982a_100000201194_100000210215 [0,1,0,0,0,0|2,0,1]=4 277 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)F 2230a_100000195558_100000210326 [0,1,0,0,0,0|2,0,1]=4 278 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)F 269982a_100000195558_100000210215 [0,1,0,0,0,0|2,0,1]=4 279 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)F 34a_100000195558_100000718602 [0,1,0,0,0,0|2,0,1]=4 280 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)O 2230a_100000201218_100000210326 [0,1,0,0,0,0|2,0,1]=4 281 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)O 269982a_100000201218_100000210215 [0,1,0,0,0,0|2,0,1]=4 282 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000210211 [0,1,0,0,0,0|1,0,2]=4 283 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000210210 [0,1,0,0,0,0|1,0,2]=4 284 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000210211 [0,1,0,0,0,0|1,0,2]=4 285 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000210210 [0,1,0,0,0,0|1,0,2]=4 286 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000210211 [0,1,0,0,0,0|1,0,2]=4 287 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000210210 [0,1,0,0,0,0|1,0,2]=4 288 B16R1.1231 COCCCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_100000747464 [0,1,0,0,0,0|2,0,1]=4 289 B16R1.1231 COCCCC(=Cc1cccc(c1)F)C#N 6a_100000210812_100000747464 [0,1,0,0,0,0|2,0,1]=4 290 B16R1.1231 COCCCC(=Cc1cccc(c1)I)C#N 6a_100000014684_100000747464 [0,1,0,0,0,0|2,0,1]=4 291 B16R1.1231 N#CC(=Cc1cccc(c1)Br)CCCCBr 6a_100000210085_100009813376 [0,1,0,0,0,0|2,0,1]=4 292 B16R1.1231 N#CC(=Cc1cccc(c1)F)CCCCBr 6a_100000210812_100009813376 [0,1,0,0,0,0|2,0,1]=4 293 B16R1.1231 N#CC(=Cc1cccc(c1)I)CCCCBr 6a_100000014684_100009813376 [0,1,0,0,0,0|2,0,1]=4 294 B16R1.1407 CCCCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210314 [0,1,0,0,0,0|2,0,1]=4 295 B16R1.1407 CCCCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210757 [0,1,0,0,0,0|2,0,1]=4 296 B16R1.1407 CCCCCNC(CC)Cc1ccccc1 270004a_100000209983_100000212045 [0,1,0,0,0,0|1,0,2]=4 297 B16R1.1407 CCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210326 [0,1,0,0,0,0|0,0,2]=3 298 B16R1.1407 CCCCCNC(CO)Cc1cccnc1 2230a_100000717814_100000210326 [0,1,0,0,0,0|1,0,2]=4 299 B16R1.1407 CCCCCNC(CO)Cc1ccncc1 2230a_100000717866_100000210326 [0,1,0,0,0,0|1,0,2]=4 300 B16R1.1407 CCCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210326 [0,1,0,0,0,0|1,0,2]=4 301 B16R1.1407 CCCCCOC(CN)Cc1ccccc1 34a_100000752270_100000718602 [0,1,0,0,0,0|1,0,2]=4 302 B16R1.1407 CCCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210326 [0,1,0,0,0,0|1,0,2]=4 303 B16R1.1407 CCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210210 [0,1,0,0,0,0|0,0,2]=3 304 B16R1.1407 CCCCNN=C(CC)Cc1ccccc1 4a_100025702795_100000212045 [0,1,0,0,0,0|2,0,1]=4 305 B16R1.1407 CCCCOCC(CN)Cc1ccccc1 34a_100160572655_100000210210 [0,1,0,0,0,0|1,0,2]=4 306 B16R1.1407 CCCCOCN(CC)Cc1ccccc1 2230a_100000186914_100011995733 [0,1,0,0,0,0|2,0,1]=4 307 B16R1.1407 CCCCOCN(CC)Cc1ccccc1 269982a_100000186914_100011995733 [0,1,0,0,0,0|2,0,1]=4 308 B16R1.1407 CCCOCCN(CC)Cc1ccccc1 2230a_100000186914_100011215938 [0,1,0,0,0,0|2,0,1]=4 309 B16R1.1407 CCCOCCN(CC)Cc1ccccc1 269982a_100000186914_100011215938 [0,1,0,0,0,0|2,0,1]=4 310 B16R1.1407 CCN(CCCCCF)Cc1ccccc1 2230a_100000186914_100000729378 [0,1,0,0,0,0|2,0,1]=4 311 B16R1.1407 CCN(CCCCCF)Cc1ccccc1 269982a_100000186914_100000729378 [0,1,0,0,0,0|2,0,1]=4 312 B16R1.1407 CCN(CCCCCO)Cc1ccccc1 2230a_100000186914_100000746330 [0,1,0,0,0,0|2,0,1]=4 313 B16R1.1407 CCN(CCCCCO)Cc1ccccc1 2230a_100011629535_100000210202 [0,1,0,0,0,0|2,0,1]=4 314 B16R1.1407 CCN(CCCCCO)Cc1ccccc1 269982a_100000186914_100000746330 [0,1,0,0,0,0|2,0,1]=4 315 B16R1.1407 CCN(CCCCCO)Cc1ccccc1 269982a_100011629535_100000204670 [0,1,0,0,0,0|2,0,1]=4 316 B16R1.1407 CCN(CCCCCO)Cc1ccccc1 34a_100011629535_100000210202 [0,1,0,0,0,0|2,0,1]=4 317 B16R1.1407 CCN(CCCCOC)Cc1ccccc1 2230a_100000186914_100000730899 [0,1,0,0,0,0|2,0,1]=4 318 B16R1.1407 CCN(CCCCOC)Cc1ccccc1 269982a_100000186914_100000730899 [0,1,0,0,0,0|2,0,1]=4 319 B16R1.1407 CCOCCCN(CC)Cc1ccccc1 2230a_100000186914_100012232248 [0,1,0,0,0,0|2,0,1]=4 320 B16R1.1407 CCOCCCN(CC)Cc1ccccc1 269982a_100000186914_100012232248 [0,1,0,0,0,0|2,0,1]=4 321 B16R1.1407 CCOCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215890 [0,1,0,0,0,0|1,0,2]=4 322 B16R1.1407 CCSCCNC(CO)Cc1ccccc1 2230a_100000739027_100000757381 [0,1,0,0,0,0|1,0,2]=4 323 B16R1.1407 COCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000740836 [0,1,0,0,0,0|1,0,2]=4 324 B16R1.1407 COCCNCC(CO)Cc1ccccc1 34a_100160572655_100011201679 [0,1,0,0,0,0|1,0,2]=4 325 B16R1.1407 CSCCNCC(CO)Cc1ccccc1 34a_100160572655_100000212216 [0,1,0,0,0,0|1,0,2]=4 326 B16R1.1407 OCC(CNCCCF)Cc1ccccc1 34a_100160572655_100011934791 [0,1,0,0,0,0|1,0,2]=4 327 B16R1.1407 OCC(Cc1ccccc1)NCCCCF 2230a_100000739027_100000729493 [0,1,0,0,0,0|1,0,2]=4 328 B16R1.1407 OCCCCCN(CF)Cc1ccccc1 269982a_100011629535_100015361967 [0,1,0,0,0,0|2,0,1]=4 329 B16R1.1407 OCCCCCN(CF)Cc1ccccc1 34a_100011629535_100015361967 [0,1,0,0,0,0|2,0,1]=4 330 B16R1.1407 OCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210776 [0,1,0,0,0,0|1,0,2]=4 331 B16R1.1407 OCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000230001 [0,1,0,0,0,0|1,0,2]=4 332 B16R1.1420 CCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210211 [0,1,0,0,0,0|1,0,2]=4 333 B16R1.1420 CCN(CCCCO)C(=O)c1ccccc1 240690a_100011217355_100000185807 [0,1,0,0,0,0|3,0,0]=4 334 B16R1.1438 C#CCN(CCCCC)Cc1ccccc1 2230a_100000730907_100000210326 [0,1,0,0,0,0|2,0,1]=4 335 B16R1.1438 C#CCN(CCCCC)Cc1ccccc1 269982a_100000730907_100000210215 [0,1,0,0,0,0|2,0,1]=4 336 B16R1.1438 C#CCN(CCCCC)Cc1ccccc1 34a_100000730907_100000718602 [0,1,0,0,0,0|2,0,1]=4 337 B16R1.1438 C=CCN(CCCCC)Cc1ccccc1 2230a_100000196212_100000210326 [0,1,0,0,0,0|2,0,1]=4 338 B16R1.1438 C=CCN(CCCCC)Cc1ccccc1 269982a_100000196212_100000210215 [0,1,0,0,0,0|2,0,1]=4 339 B16R1.1438 CCCCC/C(=C\c1ccccc1)/COC 34a_200020681711_200000210301 [0,1,0,0,0,0|0,0,0]=1 340 B16R1.1438 CCCCC/C(=C\c1ccccc1)/COC 7a_200020681711_200000210301 [0,1,0,0,0,0|0,0,0]=1 341 B16R1.1438 CCCCC/C(=C\c1ccccc1)/CO[13CH3] 34a_200020681711_200025704644 [0,1,0,0,0,0|0,0,0]=1 342 B16R1.1438 CCCCC/C(=C\c1ccccc1)/CO[13CH3] 7a_200020681711_200025704644 [0,1,0,0,0,0|0,0,0]=1 343 B16R1.1438 CCCCCN(CC#N)Cc1ccccc1 2230a_100000743013_100000210326 [0,1,0,0,0,0|2,0,1]=4 344 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 2230a_100000184400_100000210326 [0,1,0,0,0,0|2,0,1]=4 345 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 2230a_200000226819_100015291786 [0,1,0,0,0,0|2,0,1]=4 346 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 269982a_100000184400_100000210215 [0,1,0,0,0,0|2,0,1]=4 347 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 269982a_200000226819_100000211182 [0,1,0,0,0,0|2,0,1]=4 348 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 270004a_200000226819_100015611070 [0,1,0,0,0,0|2,0,1]=4 349 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000210326 [0,1,0,0,0,0|1,0,1]=3 350 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 2230a_100000224656_100015291786 [0,1,0,0,0,0|1,0,1]=3 351 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000210215 [0,1,0,0,0,0|1,0,1]=3 352 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 269982a_100000224656_100000211182 [0,1,0,0,0,0|1,0,1]=3 353 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 270004a_100000224656_100015611070 [0,1,0,0,0,0|1,0,1]=3 354 B16R1.1438 CCCCCN(CCO)Cc1ccccn1 2230a_100000224656_100000721315 [0,1,0,0,0,0|2,0,1]=4 355 B16R1.1438 CCCCCN(CCO)Cc1ccccn1 269982a_100000224656_100000721315 [0,1,0,0,0,0|2,0,1]=4 356 B16R1.1438 CCCCCN(CCO)Cc1ccccn1 270004a_100000224656_100000209966 [0,1,0,0,0,0|2,0,1]=4 357 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 2230a_100000224656_100000741622 [0,1,0,0,0,0|2,0,1]=4 358 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 2230a_200000200437_100000210326 [0,1,0,0,0,0|2,0,1]=4 359 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 269982a_100000224656_100000733263 [0,1,0,0,0,0|2,0,1]=4 360 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 269982a_200000200437_100000210215 [0,1,0,0,0,0|2,0,1]=4 361 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 270004a_100000224656_100000209961 [0,1,0,0,0,0|2,0,1]=4 362 B16R1.1438 CCCCCN(CCO)Cc1ccncc1 2230a_100000224656_100015193705 [0,1,0,0,0,0|2,0,1]=4 363 B16R1.1438 CCCCCN(CCO)Cc1ccncc1 269982a_100000224656_100015193705 [0,1,0,0,0,0|2,0,1]=4 364 B16R1.1438 CCCCNC(COC)Cc1ccccc1 2230a_100000766165_100000210211 [0,1,0,0,0,0|1,0,2]=4 365 B16R1.1438 CCOCCN(CCO)Cc1ccccc1 2230a_100000180844_100011215890 [0,1,0,0,0,0|2,0,1]=4 366 B16R1.1438 CCOCCN(CCO)Cc1ccccc1 269982a_100000180844_100011215890 [0,1,0,0,0,0|2,0,1]=4 367 B16R1.1438 CCSCCN(CCO)Cc1ccccc1 2230a_100000180844_100000757381 [0,1,0,0,0,0|2,0,1]=4 368 B16R1.1438 CCSCCN(CCO)Cc1ccccc1 269982a_100000180844_100000757381 [0,1,0,0,0,0|2,0,1]=4 369 B16R1.1438 COCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000740836 [0,1,0,0,0,0|2,0,1]=4 370 B16R1.1438 COCCCN(CCO)Cc1ccccc1 2230a_100000707625_100000211926 [0,1,0,0,0,0|2,0,1]=4 371 B16R1.1438 COCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000740836 [0,1,0,0,0,0|2,0,1]=4 372 B16R1.1438 COCCCN(CCO)Cc1ccccc1 269982a_100000707625_100000211926 [0,1,0,0,0,0|2,0,1]=4 373 B16R1.1438 COCCCN(COC)Cc1ccccc1 2230a_100000707625_100000766300 [0,1,0,0,0,0|2,0,1]=4 374 B16R1.1438 COCCCN(COC)Cc1ccccc1 269982a_100000707625_100000766300 [0,1,0,0,0,0|2,0,1]=4 375 B16R1.1438 COCN(CCCCO)Cc1ccccc1 2230a_100000186360_100000766300 [0,1,0,0,0,0|2,0,1]=4 376 B16R1.1438 COCN(CCCCO)Cc1ccccc1 269982a_100000186360_100000766300 [0,1,0,0,0,0|2,0,1]=4 377 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000210776 [0,1,0,0,0,0|2,0,1]=4 378 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 2230a_100000186360_100000211926 [0,1,0,0,0,0|2,0,1]=4 379 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000210776 [0,1,0,0,0,0|2,0,1]=4 380 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 269982a_100000186360_100000211926 [0,1,0,0,0,0|2,0,1]=4 381 B16R1.1438 OCCN(CCCCF)Cc1ccccc1 2230a_100000180844_100000729493 [0,1,0,0,0,0|2,0,1]=4 382 B16R1.1438 OCCN(CCCCF)Cc1ccccc1 269982a_100000180844_100000729493 [0,1,0,0,0,0|2,0,1]=4 383 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210326 [0,1,0,0,0,0|2,0,1]=4 384 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C 2230a_100000223497_100015291786 [0,1,0,0,0,0|2,0,1]=4 385 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000210215 [0,1,0,0,0,0|2,0,1]=4 386 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C 269982a_100000223497_100000211182 [0,1,0,0,0,0|2,0,1]=4 387 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C 270004a_100000223497_100015611070 [0,1,0,0,0,0|2,0,1]=4 388 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210312 [0,1,0,0,0,0|1,0,2]=4 389 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 269862a_100000739027_100000185833 [0,1,0,0,0,0|1,0,2]=4 390 B16R1.3379 CC(C)CNCC(CO)Cc1ccccc1 270004a_100160572655_100000210432 [0,1,0,0,0,0|1,0,2]=4 391 B16R1.3379 CC(C)CNCC(CO)Cc1ccccc1 34a_100160572655_100000210624 [0,1,0,0,0,0|1,0,2]=4 392 B16R1.3379 CC(O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100012276601 [0,1,0,0,0,0|1,0,2]=4 393 B16R1.3379 CC(O)CNCC(CO)Cc1ccccc1 34a_100160572655_100011218427 [0,1,0,0,0,0|1,0,2]=4 394 B16R1.3379 CCN(CCCC(C)C)Cc1ccccc1 2230a_100000186914_100011214892 [0,1,0,0,0,0|2,0,1]=4 395 B16R1.3379 CCN(CCCC(C)C)Cc1ccccc1 269982a_100000186914_100011214892 [0,1,0,0,0,0|2,0,1]=4 396 B16R1.3379 CCN(CCCC(C)O)Cc1ccccc1 2230a_100000186914_200000718107 [0,1,0,0,0,0|2,0,1]=4 397 B16R1.3379 CCN(CCCC(C)O)Cc1ccccc1 269982a_100000186914_200000718107 [0,1,0,0,0,0|2,0,1]=4 398 B16R1.3379 C[C@@H](O)CNCC(CO)Cc1ccccc1 34a_100160572655_100009817552 [0,1,0,0,0,0|1,0,2]=4 399 B16R1.3677 CCCCCN(CC)Cc1ccccc1C 2230a_100000201206_100000210326 [0,1,0,0,0,0|2,0,1]=4 400 B16R1.3677 CCCCCN(CC)Cc1ccccc1C 269982a_100000201206_100000210215 [0,1,0,0,0,0|2,0,1]=4 401 B16R1.3677 CCCCCN(CC)Cc1ccccc1Cl 2230a_100000201176_100000210326 [0,1,0,0,0,0|2,0,1]=4 402 B16R1.3677 CCCCCN(CC)Cc1ccccc1Cl 269982a_100000201176_100000210215 [0,1,0,0,0,0|2,0,1]=4 403 B16R1.3677 CCCCCN(CC)Cc1ccccc1F 2230a_100015186831_100000210326 [0,1,0,0,0,0|2,0,1]=4 404 B16R1.3677 CCCCCN(CC)Cc1ccccc1F 269982a_100015186831_100000210215 [0,1,0,0,0,0|2,0,1]=4 405 B16R1.3677 CCCCCN(CC)Cc1ccccc1F 34a_100015186831_100000718602 [0,1,0,0,0,0|2,0,1]=4 406 B16R1.3677 CCCCCN(CC)Cc1ccccc1O 2230a_100011223546_100000210326 [0,1,0,0,0,0|2,0,1]=4 407 B16R1.3677 CCCCCN(CC)Cc1ccccc1O 269982a_100011223546_100000210215 [0,1,0,0,0,0|2,0,1]=4 408 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000210211 [0,1,0,0,0,0|1,0,2]=4 409 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000210210 [0,1,0,0,0,0|1,0,2]=4 410 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 2230a_100000739027_100000748023 [0,1,0,0,0,0|1,0,2]=4 411 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 270004a_100000739027_100000243153 [0,1,0,0,0,0|1,0,2]=4 412 B16R1.4400 CCC(C)NCC(CO)Cc1ccccc1 34a_100160572655_100011215416 [0,1,0,0,0,0|1,0,2]=4 413 B16R1.4400 CCC(O)CNC(CO)Cc1ccccc1 2230a_100000739027_100011218378 [0,1,0,0,0,0|1,0,2]=4 414 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccccc1 2230a_100000739027_100009816398 [0,1,0,0,0,0|1,0,2]=4 415 B16R2.2 CCC1CCN(CC1)Cc2ccccc2 2230a_100000754474_100015291786 [0,0,0,1,0,0|2,0,1]=4 416 B16R2.2 CCC1CCN(CC1)Cc2ccccc2 269982a_100000754474_100000211182 [0,0,0,1,0,0|2,0,1]=4 417 B16R2.2 CCC1CCN(CC1)Cc2ccccc2 270004a_100000754474_100015611070 [0,0,0,1,0,0|2,0,1]=4 418 B16R2.2 CCC1CCN(CC1)Cc2ccccc2 34a_100000754474_100015291786 [0,0,0,1,0,0|2,0,1]=4 419 B16R2.101 CCN(Cc1ccccc1)C2CCCC2 2230a_100000186914_100000179811 [0,0,0,1,0,0|2,0,1]=4 420 B16R2.101 CCN(Cc1ccccc1)C2CCCC2 269982a_100000186914_100000179811 [0,0,0,1,0,0|2,0,1]=4 421 B16R2.101 CCN(Cc1ccccc1)C2CCCC2 270004a_100000186914_100000210133 [0,0,0,1,0,0|2,0,1]=4 422 B16R2.676 CCN(CCC1CC1)Cc2ccccc2 2230a_100000186914_100000694398 [0,0,0,1,0,0|2,0,1]=4 423 B16R2.676 CCN(CCC1CC1)Cc2ccccc2 269982a_100000186914_100000694398 [0,0,0,1,0,0|2,0,1]=4 424 B16R2.676 OCC(CNC1CC1)Cc2ccccc2 34a_100160572655_100000211595 [0,0,0,1,0,0|1,0,2]=4 425 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 2230a_100000739027_100000742324 [0,0,0,1,0,0|1,0,2]=4 426 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 269862a_100000739027_100000741477 [0,0,0,1,0,0|1,0,2]=4 427 B16R2.2211 c1ccc(cc1)CN2CCCCCCC2 2230a_100000211400_100015291786 [0,0,0,1,0,0|2,0,1]=4 428 B16R2.2211 c1ccc(cc1)CN2CCCCCCC2 269982a_100000211400_100000211182 [0,0,0,1,0,0|2,0,1]=4 429 B16R2.2211 c1ccc(cc1)CN2CCCCCCC2 270004a_100000211400_100015611070 [0,0,0,1,0,0|2,0,1]=4 430 B16R2.2211 c1ccc(cc1)CN2CCCCCCC2 34a_100000211400_100015291786 [0,0,0,1,0,0|2,0,1]=4 431 B16R2.2265 CCCCCN1CCC1c2ccccc2 2230a_100000739605_100000210326 [0,0,0,1,0,0|2,0,1]=4 432 B16R2.2265 CCCCCN1CCC1c2ccccc2 269982a_100000739605_100000210215 [0,0,0,1,0,0|2,0,1]=4 433 B16R2.2272 CCCCNC1Cc2ccccc2C1O 2230a_100000102301_100000211646 [0,0,0,1,0,0|1,0,2]=4 434 B16R2.2272 CCCCOC1Cc2ccccc2C1O 34a_100000210227_100000211646 [0,0,0,1,0,0|1,0,2]=4 435 B16R2.2272 CCCCOc1cc2ccccc2n1C 34a_100000066695_100000210210 [0,0,0,1,0,0|3,0,0]=4 436 B16R2.2272 CCCCSC1Cc2ccccc2C1O 62a_100000210211_100000211646 [0,0,0,1,0,0|1,0,2]=4 437 B16R2.2272 CCCCSC1Cc2ccccc2C1O 62a_100000211646_100000210210 [0,0,0,1,0,0|1,0,2]=4 438 B16R2.2272 CCCNCc1cc2ccccc2n1C 270004a_100020643023_100000033373 [0,0,0,1,0,0|3,0,0]=4 439 B16R2.2272 CCCOCc1cc2ccccc2n1C 34a_100000081300_100000210303 [0,0,0,1,0,0|3,0,0]=4 440 B16R2.2441 C=CCNCC1=Cc2ccccc2OC1 270004a_100020586998_100000013085 [0,0,0,1,0,0|1,0,2]=4 441 B16R2.2441 CCCCCN1CCc2ccccc2C1 2230a_100000188457_100000210326 [0,0,0,1,0,0|2,0,1]=4 442 B16R2.2441 CCCCCN1CCc2ccccc2C1 269982a_100000188457_100000210215 [0,0,0,1,0,0|2,0,1]=4 443 B16R2.2441 CCCCCN1CCc2ccccc2C1 34a_100000188457_100000718602 [0,0,0,1,0,0|2,0,1]=4 444 B16R2.2441 CCCCNC1COc2ccccc2C1 2230a_100000739546_100000210211 [0,0,0,1,0,0|1,0,2]=4 445 B16R2.2441 CCCCNC1COc2ccccc2C1 270004a_100000102301_100000048293 [0,0,0,1,0,0|1,0,2]=4 446 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [0,0,0,1,0,0|2,0,1]=4 447 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [0,0,0,1,0,0|2,0,1]=4 448 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [0,0,0,1,0,0|2,0,1]=4 449 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [0,0,0,1,0,0|2,0,1]=4 450 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [0,0,0,1,0,0|2,0,1]=4 451 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [0,0,0,1,0,0|2,0,1]=4 452 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100000210211_100000047361 [0,0,0,1,0,0|3,0,0]=4 453 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100009816522_100000210210 [0,0,0,1,0,0|3,0,0]=4 454 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [0,0,0,1,0,0|2,0,1]=4 455 B16R2.2441 CCCCSc1cnc2ccccc2c1 62a_100000210211_100000737414 [0,0,0,1,0,0|2,0,1]=4 456 B16R2.2441 CCCNCC1=Cc2ccccc2OC1 270004a_100020643023_100000013085 [0,0,0,1,0,0|1,0,0]=2 457 B16R2.2441 CCCNCC1COc2ccccc2C1 2230a_100000703909_100000210303 [0,0,0,1,0,0|1,0,2]=4 458 B16R2.2441 CCCNCC1COc2ccccc2C1 34a_100000703909_100000210303 [0,0,0,1,0,0|1,0,2]=4 459 B16R2.2441 CCCNCC1COc2ccccc2O1 2230a_100000682559_100000210303 [0,0,0,1,0,0|2,0,1]=4 460 B16R2.2441 CCCNCC1COc2ccccc2O1 34a_100000682559_100000210303 [0,0,0,1,0,0|2,0,1]=4 461 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [0,0,0,1,0,0|3,0,0]=4 462 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [0,0,0,1,0,0|3,0,0]=4 463 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,0,0,1,0,0|2,0,1]=4 464 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,0,0,1,0,0|2,0,1]=4 465 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,0,0,1,0,0|2,0,1]=4 466 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,0,0,1,0,0|2,0,1]=4 467 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [0,0,0,1,0,0|2,0,1]=4 468 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [0,0,0,1,0,0|2,0,1]=4 469 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [0,0,0,1,0,0|2,0,1]=4 470 B16R2.2441 CCCNN=C1COc2ccccc2C1 4a_100000740057_100000048293 [0,0,0,1,0,0|2,0,1]=4 471 B16R2.2441 CCCOCC1COc2ccccc2C1 34a_100011273996_100000210303 [0,0,0,1,0,0|1,0,2]=4 472 B16R2.2441 CCCOCC1COc2ccccc2O1 34a_100000184353_100000210303 [0,0,0,1,0,0|2,0,1]=4 473 B16R2.2441 CCCOCC1COc2ccccc2O1 34a_100000210258_100011215957 [0,0,0,1,0,0|2,0,1]=4 474 B16R2.2441 CCCOCc1cc2ccccc2cn1 34a_100000210258_100009869231 [0,0,0,1,0,0|3,0,0]=4 475 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [0,0,0,1,0,0|2,0,1]=4 476 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [0,0,0,1,0,0|2,0,1]=4 477 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [0,0,0,1,0,0|2,0,1]=4 478 B16R2.2441 CCCOCc1cnc2ccccc2c1 34a_100011258773_100000210303 [0,0,0,1,0,0|2,0,1]=4 479 B16R2.2441 CCCSCC1COc2ccccc2O1 62a_100000210303_100011215957 [0,0,0,1,0,0|2,0,1]=4 480 B16R2.2441 CCCSCC1COc2ccccc2O1 62a_100011215957_100000210303 [0,0,0,1,0,0|2,0,1]=4 481 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100000210303_100009869231 [0,0,0,1,0,0|3,0,0]=4 482 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100009869231_100000210303 [0,0,0,1,0,0|3,0,0]=4 483 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [0,0,0,1,0,0|2,0,1]=4 484 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [0,0,0,1,0,0|2,0,1]=4 485 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [0,0,0,1,0,0|2,0,1]=4 486 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [0,0,0,1,0,0|2,0,1]=4 487 B16R2.2441 CCNN=CC1=Cc2ccccc2OC1 4a_100000756455_100000013085 [0,0,0,1,0,0|2,0,1]=4 488 B16R2.2441 CCOCCC1COc2ccccc2O1 34a_200000066832_100000210202 [0,0,0,1,0,0|2,0,1]=4 489 B16R2.2441 CCOCCC1COc2ccccc2O1 7a_200000066832_100000210202 [0,0,0,1,0,0|2,0,1]=4 490 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [0,0,0,1,0,0|2,0,1]=4 491 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [0,0,0,1,0,0|2,0,1]=4 492 B16R2.2441 OCCNCC1=Cc2ccccc2OC1 270004a_100000210304_100000013085 [0,0,0,1,0,0|2,0,0]=3 493 B16R2.3258 CC1CCCN(CC1)Cc2ccccc2 2230a_100025706717_100015291786 [0,0,0,1,0,0|2,0,1]=4 494 B16R2.3258 CC1CCCN(CC1)Cc2ccccc2 269982a_100025706717_100000211182 [0,0,0,1,0,0|2,0,1]=4 495 B16R2.3258 CC1CCCN(CC1)Cc2ccccc2 270004a_100025706717_100015611070 [0,0,0,1,0,0|2,0,1]=4 496 B16R2.3258 CC1CCCN(CC1)Cc2ccccc2 34a_100025706717_100015291786 [0,0,0,1,0,0|2,0,1]=4 497 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 2230a_100000186914_100000763275 [0,0,0,1,0,0|2,0,1]=4 498 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 2230a_106354213860_100000210202 [0,0,0,1,0,0|2,0,1]=4 499 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 269982a_100000186914_100000763275 [0,0,0,1,0,0|2,0,1]=4 500 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 269982a_106354213860_100000204670 [0,0,0,1,0,0|2,0,1]=4 501 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 34a_106354213860_100000210202 [0,0,0,1,0,0|2,0,1]=4 502 B16R2.29082 FCN(Cc1ccccc1)CC2CCC2 269982a_106354213860_100015361967 [0,0,0,1,0,0|2,0,1]=4 503 B16R2.29082 FCN(Cc1ccccc1)CC2CCC2 34a_106354213860_100015361967 [0,0,0,1,0,0|2,0,1]=4 504 B16R2.29082 OCC(Cc1ccccc1)NC2CCC2 270004a_100000739027_100000241760 [0,0,0,1,0,0|1,0,2]=4 505 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,0,0,0,1,0|2,0,1]=4 506 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,0,0,0,1,0|2,0,1]=4 507 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,0,0,0,1,0|2,0,1]=4 508 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,0,0,0,1,0|2,0,1]=4 509 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,0,0,0,1,0|2,0,1]=4 510 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_100000210013_100000210326 [0,0,0,0,1,0|2,0,0]=3 511 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_200000219563_100000210202 [0,0,0,0,1,0|2,0,0]=3 512 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_100000210013_100000210215 [0,0,0,0,1,0|2,0,0]=3 513 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_200000219563_100000204670 [0,0,0,0,1,0|2,0,0]=3 514 B14R1.121 CCCCCN(CC)c1ccccc1 34a_100000210013_100000718602 [0,0,0,0,1,0|2,0,0]=3 515 B14R1.121 CCCCCN(CC)c1ccccc1 34a_200000219563_100000210202 [0,0,0,0,1,0|2,0,0]=3 516 B14R1.121 CCCCCN(CC)c1ccccc1 7a_200000219563_100000210202 [0,0,0,0,1,0|2,0,0]=3 517 B14R1.121 CCCCCN(CF)c1ccccc1 269982a_200000219563_100015361967 [0,0,0,0,1,0|2,0,0]=3 518 B14R1.121 CCCCCN(CF)c1ccccc1 34a_200000219563_100015361967 [0,0,0,0,1,0|2,0,0]=3 519 B14R1.121 CCCCCN(CF)c1ccccc1 7a_200000219563_100015361967 [0,0,0,0,1,0|2,0,0]=3 520 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,0,0,0,1,0|2,0,1]=4 521 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,0,0,0,1,0|2,0,1]=4 522 B14R1.121 CCCCNC(CO)c1ccccn1 2230a_100015196888_100000210211 [0,0,0,0,1,0|2,0,1]=4 523 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,0,0,0,1,0|1,0,1]=3 524 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,0,0,0,1,0|1,0,1]=3 525 B14R1.121 CCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210211 [0,0,0,0,1,0|2,0,1]=4 526 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,0,0,0,1,0|2,0,1]=4 527 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,0,0,0,1,0|2,0,1]=4 528 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,0,0,0,1,0|2,0,1]=4 529 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,0,0,0,1,0|2,0,1]=4 530 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,0,0,0,1,0|2,0,1]=4 531 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,0,0,0,1,0|2,0,1]=4 532 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,0,0,0,1,0|2,0,1]=4 533 B14R1.121 CCCNN=C(CC)c1ccccc1 4a_100000740057_100000210124 [0,0,0,0,1,0|3,0,0]=4 534 B14R1.121 CCCNN=C(CF)c1ccccc1 4a_100000740057_100000069468 [0,0,0,0,1,0|3,0,0]=4 535 B14R1.121 CCCNN=C(CO)c1ccccc1 4a_100000740057_100000748912 [0,0,0,0,1,0|2,0,0]=3 536 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,0,0,0,1,0|2,0,1]=4 537 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,0,0,0,1,0|2,0,1]=4 538 B14R1.121 CCN(CCCCF)c1ccccc1 2230a_100000210013_100000729493 [0,0,0,0,1,0|3,0,0]=4 539 B14R1.121 CCN(CCCCF)c1ccccc1 269982a_100000210013_100000729493 [0,0,0,0,1,0|3,0,0]=4 540 B14R1.121 CCN(CCCCF)c1ccccc1 34a_100000210013_100000729493 [0,0,0,0,1,0|3,0,0]=4 541 B14R1.121 CCN(CCCCO)c1ccccc1 2230a_100000210013_100000210776 [0,0,0,0,1,0|3,0,0]=4 542 B14R1.121 CCN(CCCCO)c1ccccc1 269982a_100000210013_100000210776 [0,0,0,0,1,0|3,0,0]=4 543 B14R1.121 CCN(CCCCO)c1ccccc1 34a_100000210013_100011216708 [0,0,0,0,1,0|3,0,0]=4 544 B14R1.121 CCN(CCCOC)c1ccccc1 2230a_100000210013_100000740836 [0,0,0,0,1,0|3,0,0]=4 545 B14R1.121 CCN(CCCOC)c1ccccc1 269982a_100000210013_100000740836 [0,0,0,0,1,0|3,0,0]=4 546 B14R1.121 CCN(CCCOC)c1ccccc1 34a_100000210013_100000740836 [0,0,0,0,1,0|3,0,0]=4 547 B14R1.121 CCOCCN(CC)c1ccccc1 2230a_100000210013_100011215890 [0,0,0,0,1,0|3,0,0]=4 548 B14R1.121 CCOCCN(CC)c1ccccc1 269982a_100000210013_100011215890 [0,0,0,0,1,0|3,0,0]=4 549 B14R1.121 CCOCCN(CC)c1ccccc1 34a_100000210013_100000210147 [0,0,0,0,1,0|3,0,0]=4 550 B14R1.121 CCOCCN(CC)c1ccccc1 7a_100000184040_100000210202 [0,0,0,0,1,0|3,0,0]=4 551 B14R1.121 CCSCCN(CC)c1ccccc1 2230a_100000210013_100000757381 [0,0,0,0,1,0|3,0,0]=4 552 B14R1.121 CCSCCN(CC)c1ccccc1 269982a_100000210013_100000757381 [0,0,0,0,1,0|3,0,0]=4 553 B14R1.121 CCSCCN(CC)c1ccccc1 34a_100000210013_100000757381 [0,0,0,0,1,0|3,0,0]=4 554 B14R1.121 COCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011201679 [0,0,0,0,1,0|2,0,1]=4 555 B14R1.121 COCCN[C@H](CO)c1ccccc1 34a_100000751927_100011201679 [0,0,0,0,1,0|2,0,1]=4 556 B14R1.121 CSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000751147 [0,0,0,0,1,0|2,0,1]=4 557 B14R1.121 CSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000212216 [0,0,0,0,1,0|2,0,1]=4 558 B14R1.121 OCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000230001 [0,0,0,0,1,0|2,0,1]=4 559 B14R1.121 OCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000230001 [0,0,0,0,1,0|2,0,1]=4 560 B14R1.121 OCCNN=C(CO)c1ccccc1 4a_100000210001_100000748912 [0,0,0,0,1,0|3,0,0]=4 561 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 2230a_100000751927_100011934791 [0,0,0,0,1,0|2,0,1]=4 562 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 34a_100000751927_100011934791 [0,0,0,0,1,0|2,0,1]=4 563 B16R1.1758 C=CC(=NNc1ccccc1)CCCCC 4a_100015195140_100011217817 [0,0,0,0,0,1|2,0,1]=4 564 B16R1.1758 CCCCCC(=NNc1ccccc1)CC 4a_100015195140_100011215316 [0,0,0,0,0,1|2,0,0]=3 565 B16R1.1758 CCCCCC(=NNc1ccccn1)CC 4a_100000183288_100011215316 [0,0,0,0,0,1|3,0,0]=4 566 B16R1.1758 CCCCCC(=NNc1cccnc1)CC 4a_100000728903_100011215316 [0,0,0,0,0,1|3,0,0]=4 567 B16R1.1758 CCCCCC(=NNc1ccncc1)CC 4a_100000698918_100011215316 [0,0,0,0,0,1|3,0,0]=4 568 B16R1.1758 CCCCCC(CC)NCc1ccccc1 270004a_100015324214_100011215316 [0,0,0,0,0,1|1,0,2]=4 569 B16R1.1758 CCCCCC(CC)OCc1ccccc1 34a_100011215405_100015291786 [0,0,0,0,0,1|1,0,2]=4 570 B16R1.1758 CCCCCC(CC)OCc1ccccc1 7a_100011215405_100000211182 [0,0,0,0,0,1|1,0,2]=4 571 B16R1.1758 CCCCCN(CC)CCc1ccccc1 2230a_100000741020_100000210326 [0,0,0,0,0,1|2,0,1]=4 572 B16R1.1758 CCCCCN(CC)CCc1ccccc1 269982a_100000741020_100000210215 [0,0,0,0,0,1|2,0,1]=4 573 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [2,0,0,0,0,0|2,0,0]=4 574 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [2,0,0,0,0,0|0,0,0]=2 575 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [2,0,0,0,0,0|1,0,0]=3 576 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [2,0,0,0,0,0|1,0,0]=3 577 B13R1.28 CCCCCC=Cc1cccnn1 271570a_100000062253_100016991348 [2,0,0,0,0,0|2,0,0]=4 578 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [2,0,0,0,0,0|1,0,0]=3 579 B13R1.28 CCCCCC=Cc1ccncn1 271570a_100000062253_100000703185 [2,0,0,0,0,0|2,0,0]=4 580 B13R1.28 CCCCCC=Cc1ccnnc1 271570a_100000062253_100000732662 [2,0,0,0,0,0|2,0,0]=4 581 B13R1.28 CCCCCC=Cc1cnccn1 271570a_100000062253_100000758340 [2,0,0,0,0,0|2,0,0]=4 582 B13R1.28 CCCCCC=Cc1cncnc1 271570a_100000062253_100011206942 [2,0,0,0,0,0|2,0,0]=4 583 B13R1.28 CCCCCC=Cc1ncccn1 271570a_100000062253_100000211032 [2,0,0,0,0,0|2,0,0]=4 584 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [2,0,0,0,0,0|1,0,1]=4 585 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [2,0,0,0,0,0|1,0,1]=4 586 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [2,0,0,0,0,0|1,0,1]=4 587 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [2,0,0,0,0,0|1,0,1]=4 588 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [2,0,0,0,0,0|1,0,1]=4 589 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [2,0,0,0,0,0|1,0,1]=4 590 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [2,0,0,0,0,0|1,0,1]=4 591 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [2,0,0,0,0,0|1,0,1]=4 592 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [2,0,0,0,0,0|1,0,1]=4 593 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [2,0,0,0,0,0|1,0,1]=4 594 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [2,0,0,0,0,0|1,0,1]=4 595 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [2,0,0,0,0,0|1,0,1]=4 596 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [2,0,0,0,0,0|1,0,1]=4 597 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [2,0,0,0,0,0|1,0,1]=4 598 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [2,0,0,0,0,0|1,0,1]=4 599 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [2,0,0,0,0,0|1,0,1]=4 600 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [2,0,0,0,0,0|2,0,0]=4 601 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [2,0,0,0,0,0|1,0,0]=3 602 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [2,0,0,0,0,0|1,0,0]=3 603 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [2,0,0,0,0,0|1,0,0]=3 604 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [2,0,0,0,0,0|1,0,0]=3 605 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [2,0,0,0,0,0|1,0,0]=3 606 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [2,0,0,0,0,0|2,0,0]=4 607 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [2,0,0,0,0,0|1,0,0]=3 608 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [2,0,0,0,0,0|1,0,0]=3 609 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [2,0,0,0,0,0|2,0,0]=4 610 B13R1.28 COCSC/C=C/c1ccccc1 62a_100000766300_100016265936 [2,0,0,0,0,0|2,0,0]=4 611 B13R1.28 COCSC/C=C/c1ccccc1 62a_100016265936_100000766300 [2,0,0,0,0,0|2,0,0]=4 612 B13R1.28 CSCNC/C=C/c1ccccc1 2230a_100020603302_100011218213 [2,0,0,0,0,0|2,0,0]=4 613 B13R1.28 CSCNC/C=C/c1ccccc1 34a_100020603302_100011218213 [2,0,0,0,0,0|2,0,0]=4 614 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [2,0,0,0,0,0|2,0,0]=4 615 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100011218213_100016265936 [2,0,0,0,0,0|2,0,0]=4 616 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100016265936_100011218213 [2,0,0,0,0,0|2,0,0]=4 617 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [2,0,0,0,0,0|2,0,0]=4 618 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [2,0,0,0,0,0|2,0,0]=4 619 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [2,0,0,0,0,0|2,0,0]=4 620 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [2,0,0,0,0,0|2,0,0]=4 621 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [2,0,0,0,0,0|2,0,0]=4 622 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [2,0,0,0,0,0|2,0,0]=4 623 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [2,0,0,0,0,0|2,0,0]=4 624 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [2,0,0,0,0,0|2,0,0]=4 625 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [2,0,0,0,0,0|2,0,0]=4 626 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [2,0,0,0,0,0|2,0,0]=4 627 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [2,0,0,0,0,0|2,0,0]=4 628 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [2,0,0,0,0,0|2,0,0]=4 629 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [2,0,0,0,0,0|2,0,0]=4 630 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [2,0,0,0,0,0|2,0,0]=4 631 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [2,0,0,0,0,0|2,0,0]=4 632 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [2,0,0,0,0,0|2,0,0]=4 633 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [2,0,0,0,0,0|2,0,0]=4 634 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [2,0,0,0,0,0|1,0,0]=3 635 B13R1.44 CCCCC(=Cc1ccccn1)Br 271570a_206741709834_100011216584 [2,0,0,0,0,0|2,0,0]=4 636 B13R1.44 CCCCC(=Cc1cccnc1)Br 271570a_206741709834_100000752921 [2,0,0,0,0,0|2,0,0]=4 637 B13R1.44 CCCCC(=Cc1ccncc1)Br 271570a_206741709834_100000035832 [2,0,0,0,0,0|2,0,0]=4 638 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [2,0,0,0,0,0|0,0,2]=4 639 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [2,0,0,0,0,0|1,0,1]=4 640 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [2,0,0,0,0,0|1,0,1]=4 641 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [2,0,0,0,0,0|1,0,1]=4 642 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [2,0,0,0,0,0|1,0,1]=4 643 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [2,0,0,0,0,0|1,0,1]=4 644 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [2,0,0,0,0,0|1,0,1]=4 645 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [2,0,0,0,0,0|1,0,1]=4 646 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [2,0,0,0,0,0|1,0,1]=4 647 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [2,0,0,0,0,0|1,0,1]=4 648 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [2,0,0,0,0,0|1,0,1]=4 649 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [2,0,0,0,0,0|1,0,1]=4 650 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [2,0,0,0,0,0|1,0,1]=4 651 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [2,0,0,0,0,0|1,0,1]=4 652 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [2,0,0,0,0,0|1,0,1]=4 653 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [2,0,0,0,0,0|1,0,1]=4 654 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [2,0,0,0,0,0|1,0,1]=4 655 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [2,0,0,0,0,0|1,0,1]=4 656 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [2,0,0,0,0,0|1,0,1]=4 657 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [2,0,0,0,0,0|1,0,0]=3 658 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [2,0,0,0,0,0|1,0,0]=3 659 B15R1.83 C#CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000688953 [1,1,0,0,0,0|0,0,2]=4 660 B15R1.83 C#CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000688953 [1,1,0,0,0,0|0,0,2]=4 661 B15R1.83 C/C(=C\c1ccccc1)/COCCC#N 7a_200025717232_100000184422 [1,1,0,0,0,0|1,0,1]=4 662 B15R1.83 C/C(=C\c1ccccc1)/COCCCF 34a_200025717232_100011934791 [1,1,0,0,0,0|1,0,0]=3 663 B15R1.83 C/C(=C\c1ccccc1)/COCCCF 7a_200025717232_100011934791 [1,1,0,0,0,0|1,0,0]=3 664 B15R1.83 C/C(=C\c1ccccc1)/COCCCO 34a_200025717232_100000230001 [1,1,0,0,0,0|1,0,0]=3 665 B15R1.83 C/C(=C\c1ccccc1)/COCCCO 7a_200025717232_100011215043 [1,1,0,0,0,0|1,0,0]=3 666 B15R1.83 C/C=C/COC/C(=C/c1ccccc1)/C 34a_200025717232_100102629194 [1,1,0,0,0,0|0,0,2]=4 667 B15R1.83 C/C=C/COC/C(=C/c1ccccc1)/C 7a_200025717232_100102629194 [1,1,0,0,0,0|0,0,2]=4 668 B15R1.83 C=CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000754431 [1,1,0,0,0,0|0,0,2]=4 669 B15R1.83 C=CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000754431 [1,1,0,0,0,0|0,0,2]=4 670 B15R1.83 CC#CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000748600 [1,1,0,0,0,0|0,0,2]=4 671 B15R1.83 CC#CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000748600 [1,1,0,0,0,0|0,0,2]=4 672 B15R1.83 CC=CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000070051 [1,1,0,0,0,0|0,0,2]=4 673 B15R1.83 CC=CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000070051 [1,1,0,0,0,0|0,0,2]=4 674 B15R1.83 CCCCCCC(=O)Cc1ccccc1 1458a_100102632555_100015291786 [1,1,0,0,0,0|0,0,2]=4 675 B15R1.83 CCCCCCC(=O)Nc1ccccc1 11a_100000106764_100102632555 [1,1,0,0,0,0|1,0,1]=4 676 B15R1.83 CCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100102632555 [1,1,0,0,0,0|1,0,1]=4 677 B15R1.83 CCCCCCC(=O)Nc1ccccc1 22a_100000106764_100102632555 [1,1,0,0,0,0|1,0,1]=4 678 B15R1.83 CCCCCCC(=O)Nc1ccccc1 527a_100000106764_100102632555 [1,1,0,0,0,0|1,0,1]=4 679 B15R1.83 CCCCCCC(C)Nc1ccccc1 34a_100000106764_100011215978 [1,1,0,0,0,0|1,0,1]=4 680 B15R1.83 CCCCCCC(C)Oc1ccccc1 34a_100000210340_100011215978 [1,1,0,0,0,0|1,0,1]=4 681 B15R1.83 CCCCCCC(C)Oc1ccccc1 7a_100000210340_100011215978 [1,1,0,0,0,0|1,0,1]=4 682 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100000719477_100011215978 [1,1,0,0,0,0|1,0,1]=4 683 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100011215978_100000041952 [1,1,0,0,0,0|1,0,1]=4 684 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210314 [1,1,0,0,0,0|1,0,1]=4 685 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_106256046315_100015291786 [1,1,0,0,0,0|1,0,1]=4 686 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210757 [1,1,0,0,0,0|1,0,1]=4 687 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_106256046315_100000211182 [1,1,0,0,0,0|1,0,1]=4 688 B15R1.83 CCCCCCN(C)Cc1ccccc1 270004a_106256046315_100015611070 [1,1,0,0,0,0|1,0,1]=4 689 B15R1.83 CCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000209983 [1,1,0,0,0,0|1,0,1]=4 690 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [1,1,0,0,0,0|0,0,2]=4 691 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [1,1,0,0,0,0|0,0,2]=4 692 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [1,1,0,0,0,0|0,0,2]=4 693 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [1,1,0,0,0,0|0,0,2]=4 694 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_100000210326_200011218536 [1,1,0,0,0,0|0,0,2]=4 695 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210326 [1,1,0,0,0,0|0,0,2]=4 696 B15R1.83 CCCCNCC(=O)Cc1ccccc1 2230a_100000102301_100000233483 [1,1,0,0,0,0|0,0,2]=4 697 B15R1.83 CCCCNCC(=O)Cc1ccccc1 7a_106832991798_100000233483 [1,1,0,0,0,0|0,0,2]=4 698 B15R1.83 CCCCNCC(=O)Nc1ccccc1 2230a_100000102301_100000182850 [1,1,0,0,0,0|1,0,1]=4 699 B15R1.83 CCCCNCC(=O)Nc1ccccc1 7a_106832991798_100000182850 [1,1,0,0,0,0|1,0,1]=4 700 B15R1.83 CCCCNCC(=O)Oc1ccccc1 2230a_100000102301_100009813826 [1,1,0,0,0,0|1,0,1]=4 701 B15R1.83 CCCCNCC(=O)Oc1ccccc1 7a_106832991798_100009813826 [1,1,0,0,0,0|1,0,1]=4 702 B15R1.83 CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210211 [1,1,0,0,0,0|1,0,1]=4 703 B15R1.83 CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000210210 [1,1,0,0,0,0|1,0,1]=4 704 B15R1.83 CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210211 [1,1,0,0,0,0|0,0,2]=4 705 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 2230a_100000102301_100000729385 [1,1,0,0,0,0|0,0,2]=4 706 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 7a_106832991798_100000729385 [1,1,0,0,0,0|0,0,2]=4 707 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210210 [1,1,0,0,0,0|0,0,0]=2 708 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210211 [1,1,0,0,0,0|0,0,0]=2 709 B15R1.83 CCCCOCC(=O)Cc1ccccc1 1458a_100000757543_100015291786 [1,1,0,0,0,0|0,0,2]=4 710 B15R1.83 CCCCOCC(=O)Cc1ccccc1 7a_100000210227_100000233483 [1,1,0,0,0,0|0,0,2]=4 711 B15R1.83 CCCCOCC(=O)Nc1ccccc1 11a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 712 B15R1.83 CCCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 713 B15R1.83 CCCCOCC(=O)Nc1ccccc1 22a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 714 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000210227_100000182850 [1,1,0,0,0,0|1,0,1]=4 715 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210210 [1,1,0,0,0,0|1,0,1]=4 716 B15R1.83 CCCCOCC(=O)Nc1ccccc1 527a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 717 B15R1.83 CCCCOCC(=O)Nc1ccccc1 7a_100000210227_100000182850 [1,1,0,0,0,0|1,0,1]=4 718 B15R1.83 CCCCOCC(=O)Oc1ccccc1 34a_100000210227_100009813826 [1,1,0,0,0,0|1,0,1]=4 719 B15R1.83 CCCCOCC(=O)Oc1ccccc1 7a_100000210227_100009813826 [1,1,0,0,0,0|1,0,1]=4 720 B15R1.83 CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210210 [1,1,0,0,0,0|0,0,2]=4 721 B15R1.83 CCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210211 [1,1,0,0,0,0|0,0,2]=4 722 B15R1.83 CCCCOCC(C)Oc1ccccc1 34a_200000036796_100000210210 [1,1,0,0,0,0|1,0,1]=4 723 B15R1.83 CCCCOCC(C)Oc1ccccc1 7a_200000036796_100000210211 [1,1,0,0,0,0|1,0,1]=4 724 B15R1.83 CCCCOCN(C)Cc1ccccc1 2230a_100000186898_100011995733 [1,1,0,0,0,0|1,0,1]=4 725 B15R1.83 CCCCOCN(C)Cc1ccccc1 269982a_100000186898_100011995733 [1,1,0,0,0,0|1,0,1]=4 726 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 34a_100000210227_100000729385 [1,1,0,0,0,0|0,0,2]=4 727 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 7a_100000210227_100000729385 [1,1,0,0,0,0|0,0,2]=4 728 B15R1.83 CCCCSCC(=O)Cc1ccccc1 1458a_100000191162_100015291786 [1,1,0,0,0,0|0,0,2]=4 729 B15R1.83 CCCCSCC(=O)Cc1ccccc1 62a_100000210211_100000233483 [1,1,0,0,0,0|0,0,2]=4 730 B15R1.83 CCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210210 [1,1,0,0,0,0|0,0,2]=4 731 B15R1.83 CCCCSCC(=O)Nc1ccccc1 11a_100000106764_100000191162 [1,1,0,0,0,0|1,0,1]=4 732 B15R1.83 CCCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000191162 [1,1,0,0,0,0|1,0,1]=4 733 B15R1.83 CCCCSCC(=O)Nc1ccccc1 22a_100000106764_100000191162 [1,1,0,0,0,0|1,0,1]=4 734 B15R1.83 CCCCSCC(=O)Nc1ccccc1 527a_100000106764_100000191162 [1,1,0,0,0,0|1,0,1]=4 735 B15R1.83 CCCCSCC(=O)Nc1ccccc1 62a_100000210211_100000182850 [1,1,0,0,0,0|1,0,1]=4 736 B15R1.83 CCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210210 [1,1,0,0,0,0|1,0,1]=4 737 B15R1.83 CCCCSCC(=O)Oc1ccccc1 62a_100000210211_100009813826 [1,1,0,0,0,0|1,0,1]=4 738 B15R1.83 CCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210210 [1,1,0,0,0,0|1,0,1]=4 739 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000210211_100000729385 [1,1,0,0,0,0|0,0,2]=4 740 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210210 [1,1,0,0,0,0|0,0,2]=4 741 B15R1.83 CCCNN=C/C(=C/c1ccccc1)/C 4a_100000740057_100016997181 [1,1,0,0,0,0|1,0,1]=4 742 B15R1.83 CCCOCCC(=O)Nc1ccccc1 34a_100000210258_100000242058 [1,1,0,0,0,0|1,0,1]=4 743 B15R1.83 CCCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215938 [1,1,0,0,0,0|1,0,1]=4 744 B15R1.83 CCCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215938 [1,1,0,0,0,0|1,0,1]=4 745 B15R1.83 CCCOCCN(C)Cc1ccccc1 34a_100000210258_100015196923 [1,1,0,0,0,0|1,0,1]=4 746 B15R1.83 CCCSCCC(=O)Nc1ccccc1 62a_100000210303_100000242058 [1,1,0,0,0,0|1,0,1]=4 747 B15R1.83 CCCSCCC(=O)Oc1ccccc1 62a_100000210303_200000035796 [1,1,0,0,0,0|1,0,1]=4 748 B15R1.83 CCCSCCN(C)Cc1ccccc1 62a_100000210303_100015196923 [1,1,0,0,0,0|1,0,1]=4 749 B15R1.83 CCNCCCC(=O)Nc1ccccc1 2230a_100015525214_100011194425 [1,1,0,0,0,0|1,0,1]=4 750 B15R1.83 CCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210202 [1,1,0,0,0,0|1,0,1]=4 751 B15R1.83 CCOCCCC(=O)Nc1ccccc1 34a_100121572206_100011194425 [1,1,0,0,0,0|1,0,1]=4 752 B15R1.83 CCOCCCN(C)Cc1ccccc1 2230a_100000186898_100012232248 [1,1,0,0,0,0|1,0,1]=4 753 B15R1.83 CCOCCCN(C)Cc1ccccc1 269982a_100000186898_100012232248 [1,1,0,0,0,0|1,0,1]=4 754 B15R1.83 CCSCCCC(=O)Nc1ccccc1 62a_100000210202_100011194425 [1,1,0,0,0,0|1,0,1]=4 755 B15R1.83 CN(CCCCCF)Cc1ccccc1 2230a_100000186898_100000729378 [1,1,0,0,0,0|1,0,1]=4 756 B15R1.83 CN(CCCCCF)Cc1ccccc1 269982a_100000186898_100000729378 [1,1,0,0,0,0|1,0,1]=4 757 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100000186898_100000746330 [1,1,0,0,0,0|1,0,1]=4 758 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100000722520_100015291786 [1,1,0,0,0,0|1,0,1]=4 759 B15R1.83 CN(CCCCCO)Cc1ccccc1 2230a_100011629535_200000210301 [1,1,0,0,0,0|1,0,1]=4 760 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100000186898_100000746330 [1,1,0,0,0,0|1,0,1]=4 761 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100000722520_100000211182 [1,1,0,0,0,0|1,0,1]=4 762 B15R1.83 CN(CCCCCO)Cc1ccccc1 269982a_100011629535_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B15R1.83 CN(CCCCCO)Cc1ccccc1 270004a_100000722520_100015611070 [1,1,0,0,0,0|1,0,1]=4 764 B15R1.83 CN(CCCCCO)Cc1ccccc1 34a_100011629535_200000210301 [1,1,0,0,0,0|1,0,1]=4 765 B15R1.83 COCCCCN(C)Cc1ccccc1 2230a_100000186898_100000730899 [1,1,0,0,0,0|1,0,1]=4 766 B15R1.83 COCCCCN(C)Cc1ccccc1 269982a_100000186898_100000730899 [1,1,0,0,0,0|1,0,1]=4 767 B15R1.83 COCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011201679 [1,1,0,0,0,0|1,0,0]=3 768 B15R1.83 COCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000233755 [1,1,0,0,0,0|1,0,0]=3 769 B15R1.83 CSCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000212216 [1,1,0,0,0,0|1,0,0]=3 770 B15R1.83 CSCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000212216 [1,1,0,0,0,0|1,0,0]=3 771 B15R1.83 O=C(CCCCCO)Cc1ccccc1 1458a_100102619762_100015291786 [1,1,0,0,0,0|0,0,2]=4 772 B15R1.83 O=C(CCCCCO)Nc1ccccc1 22a_100000106764_100102619762 [1,1,0,0,0,0|1,0,1]=4 773 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 2230a_100011629535_200025704644 [1,1,0,0,0,0|1,0,1]=4 774 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 269982a_100011629535_200025704644 [1,1,0,0,0,0|1,0,1]=4 775 B15R1.83 [13CH3]N(CCCCCO)Cc1ccccc1 34a_100011629535_200025704644 [1,1,0,0,0,0|1,0,1]=4 776 B15R1.93 C=C(C(=O)CCCCC)c1ccccc1 1458a_100000065200_100000210326 [1,1,0,0,0,0|0,0,1]=3 777 B15R1.93 C=C(C(=O)CCCCF)c1ccccc1 1458a_100000065200_100000729493 [1,1,0,0,0,0|1,0,1]=4 778 B15R1.93 C=C(C(=O)CCCCO)c1ccccc1 1458a_100000065200_100000210776 [1,1,0,0,0,0|1,0,1]=4 779 B15R1.93 C=C(C(=O)CCCOC)c1ccccc1 1458a_100000065200_100000740836 [1,1,0,0,0,0|1,0,1]=4 780 B15R1.93 C=C(C(=O)CCOCC)c1ccccc1 1458a_100000065200_100011215890 [1,1,0,0,0,0|1,0,1]=4 781 B15R1.93 C=C(C(=O)CCSCC)c1ccccc1 1458a_100000065200_100000757381 [1,1,0,0,0,0|1,0,1]=4 782 B15R1.93 C=C(C(=O)NCCCC)c1ccccc1 1626a_100000102301_100000065200 [1,1,0,0,0,0|1,0,1]=4 783 B15R1.93 CCCCCC(=O)C(C)c1ccccc1 1458a_100000212188_100000230085 [1,1,0,0,0,0|0,0,2]=4 784 B15R1.93 CCCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210326 [1,1,0,0,0,0|0,0,2]=4 785 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 11a_100000210012_100000212188 [1,1,0,0,0,0|1,0,1]=4 786 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000212188 [1,1,0,0,0,0|1,0,1]=4 787 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 22a_100000210012_100000212188 [1,1,0,0,0,0|1,0,1]=4 788 B15R1.93 CCCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210326 [1,1,0,0,0,0|0,0,2]=4 789 B15R1.93 CCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210326 [1,1,0,0,0,0|0,0,2]=4 790 B15R1.93 CCCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011218191 [1,1,0,0,0,0|0,0,1]=3 791 B15R1.93 CCCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011218191 [1,1,0,0,0,0|1,0,1]=4 792 B15R1.93 CCCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011218191 [1,1,0,0,0,0|1,0,1]=4 793 B15R1.93 CCCCCC(C)N(C)c1ccccc1 34a_100000210012_200011218191 [1,1,0,0,0,0|1,0,1]=4 794 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 11a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 795 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 1626a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 796 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 240690a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 797 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 527a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 798 B15R1.93 CCCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210326 [1,1,0,0,0,0|1,0,1]=4 799 B15R1.93 CCCCCN(C)C(C)c1ccccc1 2230a_100000223495_100000230085 [1,1,0,0,0,0|1,0,1]=4 800 B15R1.93 CCCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210215 [1,1,0,0,0,0|1,0,1]=4 801 B15R1.93 CCCCCN(C)C(C)c1ccccc1 269982a_100000223495_100000230085 [1,1,0,0,0,0|1,0,1]=4 802 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [1,1,0,0,0,0|1,0,1]=4 803 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [1,1,0,0,0,0|1,0,1]=4 804 B15R1.93 CCCCOC(C)C(=O)c1ccccc1 7a_100000210227_100000239700 [1,1,0,0,0,0|1,0,1]=4 805 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000210211_100000239700 [1,1,0,0,0,0|1,0,1]=4 806 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210210 [1,1,0,0,0,0|1,0,1]=4 807 B15R1.93 CN(CCCCO)C(=O)c1ccccc1 240690a_100000717598_100000185807 [1,1,0,0,0,0|2,0,0]=4 808 B15R1.93 COCCCN(C)C(=O)c1ccccc1 11a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 809 B15R1.93 COCCCN(C)C(=O)c1ccccc1 1626a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 810 B15R1.93 COCCCN(C)C(=O)c1ccccc1 240690a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 811 B15R1.93 COCCCN(C)C(=O)c1ccccc1 527a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 812 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210326 [1,1,0,0,0,0|0,0,2]=4 813 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000212188_100000189115 [1,1,0,0,0,0|0,0,2]=4 814 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)C 1458a_100000212188_100000210814 [1,1,0,0,0,0|0,0,2]=4 815 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210326 [1,1,0,0,0,0|0,0,2]=4 816 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210326 [1,1,0,0,0,0|0,0,2]=4 817 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000212188_100000694040 [1,1,0,0,0,0|0,0,2]=4 818 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210326 [1,1,0,0,0,0|0,0,2]=4 819 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)F 1458a_100000212188_100000198546 [1,1,0,0,0,0|0,0,2]=4 820 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)I 1458a_100000212188_100000189116 [1,1,0,0,0,0|0,0,2]=4 821 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210326 [1,1,0,0,0,0|0,0,2]=4 822 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210326 [1,1,0,0,0,0|0,0,2]=4 823 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000212188 [1,1,0,0,0,0|1,0,1]=4 824 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000212188 [1,1,0,0,0,0|1,0,1]=4 825 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000212188 [1,1,0,0,0,0|1,0,1]=4 826 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000212188 [1,1,0,0,0,0|1,0,1]=4 827 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000212188 [1,1,0,0,0,0|1,0,1]=4 828 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000212188 [1,1,0,0,0,0|1,0,1]=4 829 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000212188 [1,1,0,0,0,0|1,0,1]=4 830 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000212188 [1,1,0,0,0,0|1,0,1]=4 831 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000212188 [1,1,0,0,0,0|1,0,1]=4 832 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000212188 [1,1,0,0,0,0|1,0,1]=4 833 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000212188 [1,1,0,0,0,0|1,0,1]=4 834 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000212188 [1,1,0,0,0,0|1,0,1]=4 835 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000212188 [1,1,0,0,0,0|1,0,1]=4 836 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000212188 [1,1,0,0,0,0|1,0,1]=4 837 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000212188 [1,1,0,0,0,0|1,0,1]=4 838 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000212188 [1,1,0,0,0,0|1,0,1]=4 839 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000212188 [1,1,0,0,0,0|1,0,1]=4 840 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000212188 [1,1,0,0,0,0|1,0,1]=4 841 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000212188 [1,1,0,0,0,0|1,0,1]=4 842 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000212188 [1,1,0,0,0,0|1,0,1]=4 843 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000212188 [1,1,0,0,0,0|1,0,1]=4 844 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_200011218191 [1,1,0,0,0,0|1,0,1]=4 845 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Br 34a_100000210018_200011218191 [1,1,0,0,0,0|1,0,1]=4 846 B15R1.128 CCCCCC(C)Nc1ccc(cc1)C 34a_100000124888_200011218191 [1,1,0,0,0,0|1,0,1]=4 847 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_200011218191 [1,1,0,0,0,0|1,0,1]=4 848 B15R1.128 CCCCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_200011218191 [1,1,0,0,0,0|1,0,1]=4 849 B15R1.128 CCCCCC(C)Nc1ccc(cc1)F 34a_100000185862_200011218191 [1,1,0,0,0,0|1,0,1]=4 850 B15R1.128 CCCCCC(C)Nc1ccc(cc1)I 34a_100000185761_200011218191 [1,1,0,0,0,0|1,0,1]=4 851 B15R1.128 CCCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011218191 [1,1,0,0,0,0|1,0,1]=4 852 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Br 34a_100000185759_200011218191 [1,1,0,0,0,0|1,0,1]=4 853 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Br 7a_100000185759_200011218191 [1,1,0,0,0,0|1,0,1]=4 854 B15R1.128 CCCCCC(C)Oc1ccc(cc1)C 34a_100000210336_200011218191 [1,1,0,0,0,0|1,0,1]=4 855 B15R1.128 CCCCCC(C)Oc1ccc(cc1)C 7a_100000210336_200011218191 [1,1,0,0,0,0|1,0,1]=4 856 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_200011218191 [1,1,0,0,0,0|1,0,1]=4 857 B15R1.128 CCCCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_200011218191 [1,1,0,0,0,0|1,0,1]=4 858 B15R1.128 CCCCCC(C)Oc1ccc(cc1)F 34a_100000210339_200011218191 [1,1,0,0,0,0|1,0,1]=4 859 B15R1.128 CCCCCC(C)Oc1ccc(cc1)I 34a_100000212066_200011218191 [1,1,0,0,0,0|1,0,1]=4 860 B15R1.128 CCCCCC(C)Oc1ccc(cc1)I 7a_100000212066_200011218191 [1,1,0,0,0,0|1,0,1]=4 861 B15R1.128 CCCCCC(C)Oc1ccc(cc1)N 34a_100000185829_200011218191 [1,1,0,0,0,0|1,0,1]=4 862 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Br 62a_100000752885_200011218191 [1,1,0,0,0,0|1,0,1]=4 863 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Br 62a_200011218191_100000752885 [1,1,0,0,0,0|1,0,1]=4 864 B15R1.128 CCCCCC(C)Sc1ccc(cc1)C 62a_100000186775_200011218191 [1,1,0,0,0,0|1,0,1]=4 865 B15R1.128 CCCCCC(C)Sc1ccc(cc1)C 62a_200011218191_100000186775 [1,1,0,0,0,0|1,0,1]=4 866 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_200011218191 [1,1,0,0,0,0|1,0,1]=4 867 B15R1.128 CCCCCC(C)Sc1ccc(cc1)Cl 62a_200011218191_100000755918 [1,1,0,0,0,0|1,0,1]=4 868 B15R1.128 CCCCCC(C)Sc1ccc(cc1)F 62a_100000211213_200011218191 [1,1,0,0,0,0|1,0,1]=4 869 B15R1.128 CCCCCC(C)Sc1ccc(cc1)F 62a_200011218191_100000211213 [1,1,0,0,0,0|1,0,1]=4 870 B15R1.128 CCCCCC(C)Sc1ccc(cc1)N 62a_100000185761_200011218191 [1,1,0,0,0,0|1,0,1]=4 871 B15R1.128 CCCCCC(C)Sc1ccc(cc1)N 62a_200011218191_100000185761 [1,1,0,0,0,0|1,0,1]=4 872 B15R1.128 CCCCCC(C)Sc1ccc(cc1)O 62a_200011218191_100000185759 [1,1,0,0,0,0|1,0,1]=4 873 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210326 [1,1,0,0,0,0|1,0,1]=4 874 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 2230a_100000223495_100011217064 [1,1,0,0,0,0|1,0,1]=4 875 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210215 [1,1,0,0,0,0|1,0,1]=4 876 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 269982a_100000223495_100011217064 [1,1,0,0,0,0|1,0,1]=4 877 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 26a_100000223495_100000185759 [1,1,0,0,0,0|1,0,1]=4 878 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 270004a_100000223495_100000186029 [1,1,0,0,0,0|1,0,1]=4 879 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 2230a_100000223495_100000210814 [1,1,0,0,0,0|1,0,1]=4 880 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210326 [1,1,0,0,0,0|1,0,1]=4 881 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 269982a_100000223495_100000210814 [1,1,0,0,0,0|1,0,1]=4 882 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210215 [1,1,0,0,0,0|1,0,1]=4 883 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 26a_100000223495_200020625495 [1,1,0,0,0,0|1,0,1]=4 884 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 270004a_100000223495_100000211033 [1,1,0,0,0,0|1,0,1]=4 885 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000718602 [1,1,0,0,0,0|1,0,1]=4 886 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210326 [1,1,0,0,0,0|1,0,1]=4 887 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000189089_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 2230a_100000223495_100000694040 [1,1,0,0,0,0|1,0,1]=4 889 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210215 [1,1,0,0,0,0|1,0,1]=4 890 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000189089_200000210301 [1,1,0,0,0,0|1,0,1]=4 891 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 269982a_100000223495_100000187161 [1,1,0,0,0,0|1,0,1]=4 892 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 270004a_100000223495_100000189385 [1,1,0,0,0,0|1,0,1]=4 893 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000718602 [1,1,0,0,0,0|1,0,1]=4 894 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 34a_100000189089_200000210301 [1,1,0,0,0,0|1,0,1]=4 895 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000180876_200000210301 [1,1,0,0,0,0|1,0,1]=4 896 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210326 [1,1,0,0,0,0|1,0,1]=4 897 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 2230a_100000223495_100000198546 [1,1,0,0,0,0|1,0,1]=4 898 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000180876_200000210301 [1,1,0,0,0,0|1,0,1]=4 899 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210215 [1,1,0,0,0,0|1,0,1]=4 900 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 269982a_100000223495_100000198546 [1,1,0,0,0,0|1,0,1]=4 901 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 270004a_100000223495_100000210084 [1,1,0,0,0,0|1,0,1]=4 902 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 34a_100000180876_200000210301 [1,1,0,0,0,0|1,0,1]=4 903 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000718602 [1,1,0,0,0,0|1,0,1]=4 904 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I 2230a_100000223495_100000189116 [1,1,0,0,0,0|1,0,1]=4 905 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I 269982a_100000223495_100000189116 [1,1,0,0,0,0|1,0,1]=4 906 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210326 [1,1,0,0,0,0|1,0,1]=4 907 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210215 [1,1,0,0,0,0|1,0,1]=4 908 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000189089_200025704644 [1,1,0,0,0,0|1,0,1]=4 909 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000189089_200025704644 [1,1,0,0,0,0|1,0,1]=4 910 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)Cl 34a_100000189089_200025704644 [1,1,0,0,0,0|1,0,1]=4 911 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 2230a_100000180876_200025704644 [1,1,0,0,0,0|1,0,1]=4 912 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 269982a_100000180876_200025704644 [1,1,0,0,0,0|1,0,1]=4 913 B15R1.128 CCCCCN([13CH3])Cc1ccc(cc1)F 34a_100000180876_200025704644 [1,1,0,0,0,0|1,0,1]=4 914 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Br 1458a_100000212188_100000211773 [1,1,0,0,0,0|0,0,2]=4 915 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210326 [1,1,0,0,0,0|0,0,2]=4 916 B15R1.129 CCCCCC(=O)Cc1cccc(c1)C 1458a_100000212188_100000211840 [1,1,0,0,0,0|0,0,2]=4 917 B15R1.129 CCCCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210326 [1,1,0,0,0,0|0,0,2]=4 918 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000212188_100000181238 [1,1,0,0,0,0|0,0,2]=4 919 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210326 [1,1,0,0,0,0|0,0,2]=4 920 B15R1.129 CCCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210326 [1,1,0,0,0,0|0,0,2]=4 921 B15R1.129 CCCCCC(=O)Cc1cccc(c1)F 1458a_100000212188_100000230114 [1,1,0,0,0,0|0,0,2]=4 922 B15R1.129 CCCCCC(=O)Cc1cccc(c1)I 1458a_100000212188_100011218688 [1,1,0,0,0,0|0,0,2]=4 923 B15R1.129 CCCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210326 [1,1,0,0,0,0|0,0,2]=4 924 B15R1.129 CCCCCC(=O)Cc1cccc(c1)O 1458a_100000212188_100011660834 [1,1,0,0,0,0|0,0,2]=4 925 B15R1.129 CCCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210326 [1,1,0,0,0,0|0,0,2]=4 926 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000212188 [1,1,0,0,0,0|1,0,1]=4 927 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000212188 [1,1,0,0,0,0|1,0,1]=4 928 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000212188 [1,1,0,0,0,0|1,0,1]=4 929 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000212188 [1,1,0,0,0,0|1,0,1]=4 930 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000212188 [1,1,0,0,0,0|1,0,1]=4 931 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000212188 [1,1,0,0,0,0|1,0,1]=4 932 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000212188 [1,1,0,0,0,0|1,0,1]=4 933 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000212188 [1,1,0,0,0,0|1,0,1]=4 934 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000212188 [1,1,0,0,0,0|1,0,1]=4 935 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000212188 [1,1,0,0,0,0|1,0,1]=4 936 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000212188 [1,1,0,0,0,0|1,0,1]=4 937 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000212188 [1,1,0,0,0,0|1,0,1]=4 938 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000212188 [1,1,0,0,0,0|1,0,1]=4 939 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000212188 [1,1,0,0,0,0|1,0,1]=4 940 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000212188 [1,1,0,0,0,0|1,0,1]=4 941 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000212188 [1,1,0,0,0,0|1,0,1]=4 942 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000212188 [1,1,0,0,0,0|1,0,1]=4 943 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000212188 [1,1,0,0,0,0|1,0,1]=4 944 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000212188 [1,1,0,0,0,0|1,0,1]=4 945 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000212188 [1,1,0,0,0,0|1,0,1]=4 946 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000212188 [1,1,0,0,0,0|1,0,1]=4 947 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000212188 [1,1,0,0,0,0|1,0,1]=4 948 B15R1.129 CCCCCC(C)Nc1cccc(c1)Br 34a_100000210019_200011218191 [1,1,0,0,0,0|1,0,1]=4 949 B15R1.129 CCCCCC(C)Nc1cccc(c1)C 2230a_100000188690_200011218191 [1,1,0,0,0,0|1,0,1]=4 950 B15R1.129 CCCCCC(C)Nc1cccc(c1)C 34a_100000188690_200011218191 [1,1,0,0,0,0|1,0,1]=4 951 B15R1.129 CCCCCC(C)Nc1cccc(c1)Cl 34a_100000185859_200011218191 [1,1,0,0,0,0|1,0,1]=4 952 B15R1.129 CCCCCC(C)Nc1cccc(c1)F 34a_100000210047_200011218191 [1,1,0,0,0,0|1,0,1]=4 953 B15R1.129 CCCCCC(C)Nc1cccc(c1)I 34a_100000211102_200011218191 [1,1,0,0,0,0|1,0,1]=4 954 B15R1.129 CCCCCC(C)Nc1cccc(c1)O 34a_100000210217_200011218191 [1,1,0,0,0,0|1,0,1]=4 955 B15R1.129 CCCCCC(C)Oc1cccc(c1)Br 34a_100000210342_200011218191 [1,1,0,0,0,0|1,0,1]=4 956 B15R1.129 CCCCCC(C)Oc1cccc(c1)Br 7a_100000210342_200011218191 [1,1,0,0,0,0|1,0,1]=4 957 B15R1.129 CCCCCC(C)Oc1cccc(c1)C 34a_100000210337_200011218191 [1,1,0,0,0,0|1,0,1]=4 958 B15R1.129 CCCCCC(C)Oc1cccc(c1)C 7a_100000210337_200011218191 [1,1,0,0,0,0|1,0,1]=4 959 B15R1.129 CCCCCC(C)Oc1cccc(c1)Cl 34a_100000210295_200011218191 [1,1,0,0,0,0|1,0,1]=4 960 B15R1.129 CCCCCC(C)Oc1cccc(c1)Cl 7a_100000210295_200011218191 [1,1,0,0,0,0|1,0,1]=4 961 B15R1.129 CCCCCC(C)Oc1cccc(c1)F 34a_100000210426_200011218191 [1,1,0,0,0,0|1,0,1]=4 962 B15R1.129 CCCCCC(C)Oc1cccc(c1)F 7a_100000210426_200011218191 [1,1,0,0,0,0|1,0,1]=4 963 B15R1.129 CCCCCC(C)Oc1cccc(c1)I 34a_100000211634_200011218191 [1,1,0,0,0,0|1,0,1]=4 964 B15R1.129 CCCCCC(C)Oc1cccc(c1)I 7a_100000211634_200011218191 [1,1,0,0,0,0|1,0,1]=4 965 B15R1.129 CCCCCC(C)Oc1cccc(c1)N 34a_100000210217_200011218191 [1,1,0,0,0,0|1,0,1]=4 966 B15R1.129 CCCCCC(C)Sc1cccc(c1)Br 62a_100000691529_200011218191 [1,1,0,0,0,0|1,0,1]=4 967 B15R1.129 CCCCCC(C)Sc1cccc(c1)Br 62a_200011218191_100000691529 [1,1,0,0,0,0|1,0,1]=4 968 B15R1.129 CCCCCC(C)Sc1cccc(c1)C 62a_100011215228_200011218191 [1,1,0,0,0,0|1,0,1]=4 969 B15R1.129 CCCCCC(C)Sc1cccc(c1)C 62a_200011218191_100011215228 [1,1,0,0,0,0|1,0,1]=4 970 B15R1.129 CCCCCC(C)Sc1cccc(c1)Cl 62a_100000699651_200011218191 [1,1,0,0,0,0|1,0,1]=4 971 B15R1.129 CCCCCC(C)Sc1cccc(c1)Cl 62a_200011218191_100000699651 [1,1,0,0,0,0|1,0,1]=4 972 B15R1.129 CCCCCC(C)Sc1cccc(c1)F 62a_100000685547_200011218191 [1,1,0,0,0,0|1,0,1]=4 973 B15R1.129 CCCCCC(C)Sc1cccc(c1)F 62a_200011218191_100000685547 [1,1,0,0,0,0|1,0,1]=4 974 B15R1.129 CCCCCC(C)Sc1cccc(c1)N 62a_100000210019_200011218191 [1,1,0,0,0,0|1,0,1]=4 975 B15R1.129 CCCCCC(C)Sc1cccc(c1)N 62a_200011218191_100000210019 [1,1,0,0,0,0|1,0,1]=4 976 B15R1.129 CCCCCC(C)Sc1cccc(c1)O 62a_200011218191_100000211634 [1,1,0,0,0,0|1,0,1]=4 977 B15R1.129 CCCCCC(C)Sc1cccc(c1)[S] 62a_114929384022_200011218191 [1,1,0,0,0,0|1,0,1]=4 978 B15R1.129 CCCCCC(C)Sc1cccc(c1)[S] 62a_200011218191_114929384022 [1,1,0,0,0,0|1,0,1]=4 979 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210326 [1,1,0,0,0,0|1,0,1]=4 980 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 2230a_100000223495_100000698116 [1,1,0,0,0,0|1,0,1]=4 981 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210215 [1,1,0,0,0,0|1,0,1]=4 982 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 269982a_100000223495_100000211773 [1,1,0,0,0,0|1,0,1]=4 983 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 26a_100000223495_100000210342 [1,1,0,0,0,0|1,0,1]=4 984 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 270004a_100000223495_100000210085 [1,1,0,0,0,0|1,0,1]=4 985 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 2230a_100000223495_100000211840 [1,1,0,0,0,0|1,0,1]=4 986 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210326 [1,1,0,0,0,0|1,0,1]=4 987 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 269982a_100000223495_100000211840 [1,1,0,0,0,0|1,0,1]=4 988 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210215 [1,1,0,0,0,0|1,0,1]=4 989 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 270004a_100000223495_100000211157 [1,1,0,0,0,0|1,0,1]=4 990 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 34a_102495364743_100000718602 [1,1,0,0,0,0|1,0,1]=4 991 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 2230a_100000223495_100000181238 [1,1,0,0,0,0|1,0,1]=4 992 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210326 [1,1,0,0,0,0|1,0,1]=4 993 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 269982a_100000223495_100000181238 [1,1,0,0,0,0|1,0,1]=4 994 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210215 [1,1,0,0,0,0|1,0,1]=4 995 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl 270004a_100000223495_100000210801 [1,1,0,0,0,0|1,0,1]=4 996 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210326 [1,1,0,0,0,0|1,0,1]=4 997 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 2230a_100000223495_100000230114 [1,1,0,0,0,0|1,0,1]=4 998 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210215 [1,1,0,0,0,0|1,0,1]=4 999 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 269982a_100000223495_100000230114 [1,1,0,0,0,0|1,0,1]=4 1000 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 270004a_100000223495_100000210812 [1,1,0,0,0,0|1,0,1]=4 1001 B15R1.129 CCCCCN(C)Cc1cccc(c1)F 34a_100000184398_100000718602 [1,1,0,0,0,0|1,0,1]=4 1002 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 2230a_100000223495_100011218688 [1,1,0,0,0,0|1,0,1]=4 1003 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 269982a_100000223495_100011218688 [1,1,0,0,0,0|1,0,1]=4 1004 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 270004a_100000223495_100000014684 [1,1,0,0,0,0|1,0,1]=4 1005 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210326 [1,1,0,0,0,0|1,0,1]=4 1006 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 2230a_100000223495_100011660834 [1,1,0,0,0,0|1,0,1]=4 1007 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210215 [1,1,0,0,0,0|1,0,1]=4 1008 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 269982a_100000223495_100000084143 [1,1,0,0,0,0|1,0,1]=4 1009 B15R1.129 CCCCCN(C)Cc1cccc(c1)O 270004a_100000223495_100000188321 [1,1,0,0,0,0|1,0,1]=4 1010 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [1,1,0,0,0,0|1,0,1]=4 1011 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [1,1,0,0,0,0|1,0,1]=4 1012 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [1,1,0,0,0,0|0,0,1]=3 1013 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [1,1,0,0,0,0|1,0,1]=4 1014 B15R1.551 CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210211 [1,1,0,0,0,0|1,0,1]=4 1015 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [1,1,0,0,0,0|1,0,1]=4 1016 B15R1.551 CCCCC(C)C(=O)Cc1ccccc1 1458a_100000725509_100015291786 [1,1,0,0,0,0|0,0,2]=4 1017 B15R1.551 CCCCC(C)C(=O)Nc1ccccc1 11a_100000106764_100000725509 [1,1,0,0,0,0|1,0,1]=4 1018 B15R1.551 CCCCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000725509 [1,1,0,0,0,0|1,0,1]=4 1019 B15R1.551 CCCCC(C)C(=O)Nc1ccccc1 22a_100000106764_100000725509 [1,1,0,0,0,0|1,0,1]=4 1020 B15R1.551 CCCCC(C)C(=O)Nc1ccccc1 527a_100000106764_100000725509 [1,1,0,0,0,0|1,0,1]=4 1021 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 2230a_100000186898_200011215066 [1,1,0,0,0,0|1,0,1]=4 1022 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 269982a_100000186898_200011215066 [1,1,0,0,0,0|1,0,1]=4 1023 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000210087 [1,1,0,0,0,0|1,0,1]=4 1024 B15R1.551 CCCCC(O)C(=O)Cc1ccccc1 1458a_100000720857_100015291786 [1,1,0,0,0,0|0,0,2]=4 1025 B15R1.551 CCCCC(O)C(=O)Nc1ccccc1 22a_100000106764_100000720857 [1,1,0,0,0,0|1,0,1]=4 1026 B15R1.551 CCCCC(O)C(=O)Nc1ccccc1 527a_100000106764_100000720857 [1,1,0,0,0,0|1,0,1]=4 1027 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [1,1,0,0,0,0|1,0,1]=4 1028 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [1,1,0,0,0,0|1,0,1]=4 1029 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [1,1,0,0,0,0|1,0,1]=4 1030 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [1,1,0,0,0,0|1,0,1]=4 1031 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [1,1,0,0,0,0|1,0,1]=4 1032 B15R1.809 CCCC(C)CC(=O)Cc1ccccc1 1458a_100000748435_100015291786 [1,1,0,0,0,0|0,0,2]=4 1033 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000748435 [1,1,0,0,0,0|1,0,1]=4 1034 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000748435 [1,1,0,0,0,0|1,0,1]=4 1035 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000748435 [1,1,0,0,0,0|1,0,1]=4 1036 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000748435 [1,1,0,0,0,0|1,0,1]=4 1037 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100011216630 [1,1,0,0,0,0|1,0,1]=4 1038 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100011216630 [1,1,0,0,0,0|1,0,1]=4 1039 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243154 [1,1,0,0,0,0|1,0,1]=4 1040 B15R1.964 C/C(=C\c1ccccc1)/COC(C)CO 34a_200025717232_100012180447 [1,1,0,0,0,0|2,0,0]=4 1041 B15R1.964 C/C(=C\c1ccccc1)/COC(C)CO 7a_200025717232_100012180447 [1,1,0,0,0,0|2,0,0]=4 1042 B15R1.964 CCC(C)CCC(=O)Cc1ccccc1 1458a_100000701222_100015291786 [1,1,0,0,0,0|0,0,2]=4 1043 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000701222 [1,1,0,0,0,0|1,0,1]=4 1044 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000701222 [1,1,0,0,0,0|1,0,1]=4 1045 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000701222 [1,1,0,0,0,0|1,0,1]=4 1046 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000701222 [1,1,0,0,0,0|1,0,1]=4 1047 B15R1.964 CCC(C)OC/C(=C/c1ccccc1)/C 34a_200025717232_100011215416 [1,1,0,0,0,0|1,0,0]=3 1048 B15R1.964 CCC(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000758301 [1,1,0,0,0,0|1,0,0]=3 1049 B15R1.964 CCC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_203496584001 [1,1,0,0,0,0|1,0,1]=4 1050 B15R1.964 CCC(O)CCC(=O)Nc1ccccc1 22a_100000106764_203496584001 [1,1,0,0,0,0|1,0,1]=4 1051 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 34a_200025717232_100000210624 [1,1,0,0,0,0|1,0,0]=3 1052 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 7a_200025717232_100000210760 [1,1,0,0,0,0|1,0,0]=3 1053 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)O 34a_200025717232_100011218427 [1,1,0,0,0,0|1,0,0]=3 1054 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)O 7a_200025717232_100011218427 [1,1,0,0,0,0|1,0,0]=3 1055 B15R1.1081 C/C(=C\c1ccccc1)/COCC(F)F 34a_200025717232_100011934356 [1,1,0,0,0,0|2,0,0]=4 1056 B15R1.1081 C/C(=C\c1ccccc1)/COCC(F)F 7a_200025717232_100011934356 [1,1,0,0,0,0|2,0,0]=4 1057 B15R1.1081 C/C(=C\c1ccccc1)/COC[C@@H](C)O 34a_200025717232_100009817552 [1,1,0,0,0,0|1,0,0]=3 1058 B15R1.1081 C/C(=C\c1ccccc1)/COC[C@@H](C)O 7a_200025717232_100009817552 [1,1,0,0,0,0|1,0,0]=3 1059 B15R1.1081 C=C(C)COC/C(=C/c1ccccc1)/C 34a_200025717232_100000748629 [1,1,0,0,0,0|1,0,1]=4 1060 B15R1.1081 C=C(C)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000748629 [1,1,0,0,0,0|1,0,1]=4 1061 B15R1.1081 CC(C)CCCC(=O)Cc1ccccc1 1458a_100011216857_100015291786 [1,1,0,0,0,0|0,0,2]=4 1062 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100011216857 [1,1,0,0,0,0|1,0,1]=4 1063 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100011216857 [1,1,0,0,0,0|1,0,1]=4 1064 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100011216857 [1,1,0,0,0,0|1,0,1]=4 1065 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100011216857 [1,1,0,0,0,0|1,0,1]=4 1066 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 2230a_100000186898_100011214892 [1,1,0,0,0,0|1,0,1]=4 1067 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 269982a_100000186898_100011214892 [1,1,0,0,0,0|1,0,1]=4 1068 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000761597 [1,1,0,0,0,0|1,0,1]=4 1069 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 22a_100000106764_100000761597 [1,1,0,0,0,0|1,0,1]=4 1070 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 527a_100000106764_100000761597 [1,1,0,0,0,0|1,0,1]=4 1071 B15R1.1081 CC(O)CCCN(C)Cc1ccccc1 2230a_100000186898_200000718107 [1,1,0,0,0,0|1,0,1]=4 1072 B15R1.1081 CC(O)CCCN(C)Cc1ccccc1 269982a_100000186898_200000718107 [1,1,0,0,0,0|1,0,1]=4 1073 B15R1.1409 CCCCCC(=O)Cc1ccccc1Br 1458a_100000212188_100000184730 [1,1,0,0,0,0|0,0,2]=4 1074 B15R1.1409 CCCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210326 [1,1,0,0,0,0|0,0,2]=4 1075 B15R1.1409 CCCCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210326 [1,1,0,0,0,0|0,0,2]=4 1076 B15R1.1409 CCCCCC(=O)Cc1ccccc1C 1458a_100000212188_100000211839 [1,1,0,0,0,0|0,0,2]=4 1077 B15R1.1409 CCCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210326 [1,1,0,0,0,0|0,0,2]=4 1078 B15R1.1409 CCCCCC(=O)Cc1ccccc1Cl 1458a_100000212188_100000187162 [1,1,0,0,0,0|0,0,2]=4 1079 B15R1.1409 CCCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210326 [1,1,0,0,0,0|0,0,2]=4 1080 B15R1.1409 CCCCCC(=O)Cc1ccccc1F 1458a_100000212188_100000187165 [1,1,0,0,0,0|0,0,2]=4 1081 B15R1.1409 CCCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210326 [1,1,0,0,0,0|0,0,2]=4 1082 B15R1.1409 CCCCCC(=O)Cc1ccccc1I 1458a_100000212188_100011216222 [1,1,0,0,0,0|0,0,2]=4 1083 B15R1.1409 CCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210326 [1,1,0,0,0,0|0,0,2]=4 1084 B15R1.1409 CCCCCC(=O)Nc1ccccc1Br 11a_100000210017_100000212188 [1,1,0,0,0,0|1,0,1]=4 1085 B15R1.1409 CCCCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000212188 [1,1,0,0,0,0|1,0,1]=4 1086 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 11a_100015192222_100000212188 [1,1,0,0,0,0|1,0,1]=4 1087 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 1626a_100015192222_100000212188 [1,1,0,0,0,0|1,0,1]=4 1088 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 22a_100015192222_100000212188 [1,1,0,0,0,0|1,0,1]=4 1089 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 527a_100015192222_100000212188 [1,1,0,0,0,0|1,0,1]=4 1090 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000212188 [1,1,0,0,0,0|1,0,1]=4 1091 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000212188 [1,1,0,0,0,0|1,0,1]=4 1092 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000212188 [1,1,0,0,0,0|1,0,1]=4 1093 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000212188 [1,1,0,0,0,0|1,0,1]=4 1094 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 11a_100000210422_100000212188 [1,1,0,0,0,0|1,0,1]=4 1095 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 1626a_100000210422_100000212188 [1,1,0,0,0,0|1,0,1]=4 1096 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 22a_100000210422_100000212188 [1,1,0,0,0,0|1,0,1]=4 1097 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 527a_100000210422_100000212188 [1,1,0,0,0,0|1,0,1]=4 1098 B15R1.1409 CCCCCC(=O)Nc1ccccc1I 11a_100000210053_100000212188 [1,1,0,0,0,0|1,0,1]=4 1099 B15R1.1409 CCCCCC(=O)Nc1ccccc1I 1626a_100000210053_100000212188 [1,1,0,0,0,0|1,0,1]=4 1100 B15R1.1409 CCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000212188 [1,1,0,0,0,0|1,0,1]=4 1101 B15R1.1409 CCCCCC(=O)Nc1ccccc1O 527a_100000185747_100000212188 [1,1,0,0,0,0|1,0,1]=4 1102 B15R1.1409 CCCCCC(C)Nc1ccccc1Br 34a_100000210017_200011218191 [1,1,0,0,0,0|1,0,1]=4 1103 B15R1.1409 CCCCCC(C)Nc1ccccc1C 34a_100015192222_200011218191 [1,1,0,0,0,0|1,0,1]=4 1104 B15R1.1409 CCCCCC(C)Nc1ccccc1Cl 34a_100000185783_200011218191 [1,1,0,0,0,0|1,0,1]=4 1105 B15R1.1409 CCCCCC(C)Nc1ccccc1F 34a_100000210422_200011218191 [1,1,0,0,0,0|1,0,1]=4 1106 B15R1.1409 CCCCCC(C)Nc1ccccc1I 34a_100000210053_200011218191 [1,1,0,0,0,0|1,0,1]=4 1107 B15R1.1409 CCCCCC(C)Nc1ccccc1O 34a_100000185747_200011218191 [1,1,0,0,0,0|1,0,1]=4 1108 B15R1.1409 CCCCCC(C)Oc1ccccc1Br 34a_100000181306_200011218191 [1,1,0,0,0,0|1,0,1]=4 1109 B15R1.1409 CCCCCC(C)Oc1ccccc1Br 7a_100000181306_200011218191 [1,1,0,0,0,0|1,0,1]=4 1110 B15R1.1409 CCCCCC(C)Oc1ccccc1C 34a_100000210338_200011218191 [1,1,0,0,0,0|1,0,1]=4 1111 B15R1.1409 CCCCCC(C)Oc1ccccc1C 7a_100000210338_200011218191 [1,1,0,0,0,0|1,0,1]=4 1112 B15R1.1409 CCCCCC(C)Oc1ccccc1Cl 34a_100000210172_200011218191 [1,1,0,0,0,0|1,0,1]=4 1113 B15R1.1409 CCCCCC(C)Oc1ccccc1Cl 7a_100000210172_200011218191 [1,1,0,0,0,0|1,0,1]=4 1114 B15R1.1409 CCCCCC(C)Oc1ccccc1F 34a_100000210171_200011218191 [1,1,0,0,0,0|1,0,1]=4 1115 B15R1.1409 CCCCCC(C)Oc1ccccc1F 7a_100000210171_200011218191 [1,1,0,0,0,0|1,0,1]=4 1116 B15R1.1409 CCCCCC(C)Oc1ccccc1I 34a_100000739446_200011218191 [1,1,0,0,0,0|1,0,1]=4 1117 B15R1.1409 CCCCCC(C)Oc1ccccc1I 7a_100000739446_200011218191 [1,1,0,0,0,0|1,0,1]=4 1118 B15R1.1409 CCCCCC(C)Oc1ccccc1N 34a_100000185747_200011218191 [1,1,0,0,0,0|1,0,1]=4 1119 B15R1.1409 CCCCCC(C)Oc1ccccc1N 7a_100000185747_200011218191 [1,1,0,0,0,0|1,0,1]=4 1120 B15R1.1409 CCCCCC(C)Sc1ccccc1Br 62a_100000695589_200011218191 [1,1,0,0,0,0|1,0,1]=4 1121 B15R1.1409 CCCCCC(C)Sc1ccccc1Br 62a_200011218191_100000695589 [1,1,0,0,0,0|1,0,1]=4 1122 B15R1.1409 CCCCCC(C)Sc1ccccc1C 62a_100000210755_200011218191 [1,1,0,0,0,0|1,0,1]=4 1123 B15R1.1409 CCCCCC(C)Sc1ccccc1C 62a_200011218191_100000210755 [1,1,0,0,0,0|1,0,1]=4 1124 B15R1.1409 CCCCCC(C)Sc1ccccc1Cl 62a_100000764095_200011218191 [1,1,0,0,0,0|1,0,1]=4 1125 B15R1.1409 CCCCCC(C)Sc1ccccc1Cl 62a_200011218191_100000764095 [1,1,0,0,0,0|1,0,1]=4 1126 B15R1.1409 CCCCCC(C)Sc1ccccc1F 62a_100011215700_200011218191 [1,1,0,0,0,0|1,0,1]=4 1127 B15R1.1409 CCCCCC(C)Sc1ccccc1F 62a_200011218191_100011215700 [1,1,0,0,0,0|1,0,1]=4 1128 B15R1.1409 CCCCCC(C)Sc1ccccc1N 62a_100000210017_200011218191 [1,1,0,0,0,0|1,0,1]=4 1129 B15R1.1409 CCCCCC(C)Sc1ccccc1N 62a_200011218191_100000210017 [1,1,0,0,0,0|1,0,1]=4 1130 B15R1.1409 CCCCCC(C)Sc1ccccc1O 62a_100000739446_200011218191 [1,1,0,0,0,0|1,0,1]=4 1131 B15R1.1409 CCCCCC(C)Sc1ccccc1O 62a_200011218191_100000739446 [1,1,0,0,0,0|1,0,1]=4 1132 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210326 [1,1,0,0,0,0|1,0,1]=4 1133 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 2230a_100000223495_100000184730 [1,1,0,0,0,0|1,0,1]=4 1134 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210215 [1,1,0,0,0,0|1,0,1]=4 1135 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 269982a_100000223495_100000184730 [1,1,0,0,0,0|1,0,1]=4 1136 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 26a_100000223495_100000181306 [1,1,0,0,0,0|1,0,1]=4 1137 B15R1.1409 CCCCCN(C)Cc1ccccc1Br 270004a_100000223495_100000211189 [1,1,0,0,0,0|1,0,1]=4 1138 B15R1.1409 CCCCCN(C)Cc1ccccc1C 2230a_100000184421_100000210326 [1,1,0,0,0,0|1,0,1]=4 1139 B15R1.1409 CCCCCN(C)Cc1ccccc1C 2230a_100000223495_100000211839 [1,1,0,0,0,0|1,0,1]=4 1140 B15R1.1409 CCCCCN(C)Cc1ccccc1C 269982a_100000184421_100000210215 [1,1,0,0,0,0|1,0,1]=4 1141 B15R1.1409 CCCCCN(C)Cc1ccccc1C 269982a_100000223495_100000211839 [1,1,0,0,0,0|1,0,1]=4 1142 B15R1.1409 CCCCCN(C)Cc1ccccc1C 270004a_100000223495_100000211143 [1,1,0,0,0,0|1,0,1]=4 1143 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210326 [1,1,0,0,0,0|1,0,1]=4 1144 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 2230a_100000223495_100000187162 [1,1,0,0,0,0|1,0,1]=4 1145 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210215 [1,1,0,0,0,0|1,0,1]=4 1146 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 269982a_100000223495_100000187162 [1,1,0,0,0,0|1,0,1]=4 1147 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 26a_100000223495_100000210172 [1,1,0,0,0,0|1,0,1]=4 1148 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 270004a_100000223495_100000210073 [1,1,0,0,0,0|1,0,1]=4 1149 B15R1.1409 CCCCCN(C)Cc1ccccc1F 2230a_100000223495_100000211605 [1,1,0,0,0,0|1,0,1]=4 1150 B15R1.1409 CCCCCN(C)Cc1ccccc1F 2230a_100000742528_100000210326 [1,1,0,0,0,0|1,0,1]=4 1151 B15R1.1409 CCCCCN(C)Cc1ccccc1F 269982a_100000223495_100000211605 [1,1,0,0,0,0|1,0,1]=4 1152 B15R1.1409 CCCCCN(C)Cc1ccccc1F 269982a_100000742528_100000210215 [1,1,0,0,0,0|1,0,1]=4 1153 B15R1.1409 CCCCCN(C)Cc1ccccc1F 270004a_100000223495_100000210811 [1,1,0,0,0,0|1,0,1]=4 1154 B15R1.1409 CCCCCN(C)Cc1ccccc1F 34a_100000742528_100000718602 [1,1,0,0,0,0|1,0,1]=4 1155 B15R1.1409 CCCCCN(C)Cc1ccccc1I 2230a_100000223495_100011215278 [1,1,0,0,0,0|1,0,1]=4 1156 B15R1.1409 CCCCCN(C)Cc1ccccc1I 269982a_100000223495_100011215278 [1,1,0,0,0,0|1,0,1]=4 1157 B15R1.1409 CCCCCN(C)Cc1ccccc1I 270004a_100000223495_100000010305 [1,1,0,0,0,0|1,0,1]=4 1158 B15R1.1409 CCCCCN(C)Cc1ccccc1O 2230a_100015189988_100000210326 [1,1,0,0,0,0|1,0,1]=4 1159 B15R1.1409 CCCCCN(C)Cc1ccccc1O 269982a_100015189988_100000210215 [1,1,0,0,0,0|1,0,1]=4 1160 B15R1.564 CCCCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200011207956 [1,1,0,0,0,0|1,0,1]=4 1161 B15R1.564 CCCCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200011207956 [1,1,0,0,0,0|1,0,1]=4 1162 B15R1.564 CCCCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200011207956 [1,1,0,0,0,0|1,0,1]=4 1163 B15R1.565 CCCCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200011207956 [1,1,0,0,0,0|1,0,1]=4 1164 B15R1.565 CCCCC(=Cc1cccc(c1)F)C#N 6a_100000210812_200011207956 [1,1,0,0,0,0|1,0,1]=4 1165 B15R1.565 CCCCC(=Cc1cccc(c1)I)C#N 6a_100000014684_200011207956 [1,1,0,0,0,0|1,0,1]=4 1166 B15R1.1047 CCCCC(CC)C(=O)c1ccccc1 1458a_100000185807_200011216223 [1,1,0,0,0,0|1,0,1]=4 1167 B15R1.1047 CCCCN(CC)C(=O)c1ccccc1 11a_100000207695_100000185807 [1,1,0,0,0,0|2,0,0]=4 1168 B15R1.1047 CCCCN(CC)C(=O)c1ccccc1 1626a_100000207695_100000185807 [1,1,0,0,0,0|2,0,0]=4 1169 B15R1.1047 CCCCN(CC)C(=O)c1ccccc1 240690a_100000207695_100000185807 [1,1,0,0,0,0|2,0,0]=4 1170 B15R1.1047 CCCCN(CC)C(=O)c1ccccc1 527a_100000207695_100000185807 [1,1,0,0,0,0|2,0,0]=4 1171 B15R1.1064 CCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000210211 [1,1,0,0,0,0|1,0,1]=4 1172 B15R1.1064 CCCCN(CCO)Cc1ccccc1 2230a_100000198060_100015291786 [1,1,0,0,0,0|1,0,1]=4 1173 B15R1.1064 CCCCN(CCO)Cc1ccccc1 2230a_200000196024_100000211926 [1,1,0,0,0,0|1,0,1]=4 1174 B15R1.1064 CCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000210211 [1,1,0,0,0,0|1,0,1]=4 1175 B15R1.1064 CCCCN(CCO)Cc1ccccc1 269982a_100000198060_100000211182 [1,1,0,0,0,0|1,0,1]=4 1176 B15R1.1064 CCCCN(CCO)Cc1ccccc1 269982a_200000196024_100000211926 [1,1,0,0,0,0|1,0,1]=4 1177 B15R1.1064 CCCCN(CCO)Cc1ccccc1 270004a_100000198060_100015611070 [1,1,0,0,0,0|1,0,1]=4 1178 B15R1.1064 CCCCN(COC)Cc1ccccc1 2230a_200000196024_100000766300 [1,1,0,0,0,0|1,0,1]=4 1179 B15R1.1064 CCCCN(COC)Cc1ccccc1 269982a_200000196024_100000766300 [1,1,0,0,0,0|1,0,1]=4 1180 B15R1.33 CCCCCCN(CC)c1ccccc1 2230a_100000210013_100000210314 [0,1,0,0,1,0|2,0,0]=4 1181 B15R1.33 CCCCCCN(CC)c1ccccc1 2230a_200000219565_100000210202 [0,1,0,0,1,0|2,0,0]=4 1182 B15R1.33 CCCCCCN(CC)c1ccccc1 269982a_100000210013_100000210757 [0,1,0,0,1,0|2,0,0]=4 1183 B15R1.33 CCCCCCN(CC)c1ccccc1 269982a_200000219565_100000204670 [0,1,0,0,1,0|2,0,0]=4 1184 B15R1.33 CCCCCCN(CC)c1ccccc1 34a_100000210013_100000210314 [0,1,0,0,1,0|2,0,0]=4 1185 B15R1.33 CCCCCCN(CC)c1ccccc1 34a_200000219565_100000210202 [0,1,0,0,1,0|2,0,0]=4 1186 B15R1.33 CCCCCCN(CC)c1ccccc1 7a_200000219565_100000210202 [0,1,0,0,1,0|2,0,0]=4 1187 B15R1.33 CCCCCCN(CF)c1ccccc1 269982a_200000219565_100015361967 [0,1,0,0,1,0|2,0,0]=4 1188 B15R1.33 CCCCCCN(CF)c1ccccc1 34a_200000219565_100015361967 [0,1,0,0,1,0|2,0,0]=4 1189 B15R1.33 CCCCCCN(CF)c1ccccc1 7a_200000219565_100015361967 [0,1,0,0,1,0|2,0,0]=4 1190 B15R1.33 CCCCCNC(CC)c1ccccc1 2230a_100000737752_100000210326 [0,1,0,0,1,0|1,0,1]=4 1191 B15R1.33 CCCCCNC(CC)c1ccccc1 269862a_100000209983_100000210124 [0,1,0,0,1,0|1,0,1]=4 1192 B15R1.33 CCCCCNC(CO)c1ccccn1 2230a_100015196888_100000210326 [0,1,0,0,1,0|1,0,1]=4 1193 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210326 [0,1,0,0,1,0|0,0,1]=3 1194 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000718602 [0,1,0,0,1,0|0,0,1]=3 1195 B15R1.33 CCCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210326 [0,1,0,0,1,0|1,0,1]=4 1196 B15R1.33 CCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210326 [0,1,0,0,1,0|1,0,1]=4 1197 B15R1.33 CCCCCOC(CC)c1ccccc1 34a_100000698172_100000718602 [0,1,0,0,1,0|1,0,1]=4 1198 B15R1.33 CCCCCOC(CC)c1ccccc1 7a_100000698172_100000210326 [0,1,0,0,1,0|1,0,1]=4 1199 B15R1.33 CCCCCOC(CN)c1ccccc1 34a_100000210709_100000718602 [0,1,0,0,1,0|1,0,1]=4 1200 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000718602 [0,1,0,0,1,0|1,0,1]=4 1201 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210326 [0,1,0,0,1,0|1,0,1]=4 1202 B15R1.33 CCCCNCC(CC)c1ccccc1 270004a_100000102301_100000753018 [0,1,0,0,1,0|1,0,1]=4 1203 B15R1.33 CCCCNN=C(CC)c1ccccc1 4a_100025702795_100000210124 [0,1,0,0,1,0|2,0,0]=4 1204 B15R1.33 CCCCNN=C(CF)c1ccccc1 4a_100025702795_100000069468 [0,1,0,0,1,0|2,0,0]=4 1205 B15R1.33 CCCCNN=C(CO)c1ccccc1 4a_100025702795_100000748912 [0,1,0,0,1,0|1,0,0]=3 1206 B15R1.33 CCCCOCC(CC)c1ccccc1 34a_100000752371_100000210210 [0,1,0,0,1,0|1,0,1]=4 1207 B15R1.33 CCCCOCC(CC)c1ccccc1 7a_100000752371_100000210211 [0,1,0,0,1,0|1,0,1]=4 1208 B15R1.33 CCCCOCN(CC)c1ccccc1 2230a_100000210013_100011995733 [0,1,0,0,1,0|2,0,0]=4 1209 B15R1.33 CCCCOCN(CC)c1ccccc1 269982a_100000210013_100011995733 [0,1,0,0,1,0|2,0,0]=4 1210 B15R1.33 CCCCOCN(CC)c1ccccc1 34a_100000210013_100011995733 [0,1,0,0,1,0|2,0,0]=4 1211 B15R1.33 CCCOCCN(CC)c1ccccc1 2230a_100000210013_100011215938 [0,1,0,0,1,0|2,0,0]=4 1212 B15R1.33 CCCOCCN(CC)c1ccccc1 269982a_100000210013_100011215938 [0,1,0,0,1,0|2,0,0]=4 1213 B15R1.33 CCCOCCN(CC)c1ccccc1 34a_100000210013_100011215938 [0,1,0,0,1,0|2,0,0]=4 1214 B15R1.33 CCCOCCN(CC)c1ccccc1 7a_100000184040_100000210303 [0,1,0,0,1,0|2,0,0]=4 1215 B15R1.33 CCN(CCCCCF)c1ccccc1 2230a_100000210013_100000729378 [0,1,0,0,1,0|2,0,0]=4 1216 B15R1.33 CCN(CCCCCF)c1ccccc1 269982a_100000210013_100000729378 [0,1,0,0,1,0|2,0,0]=4 1217 B15R1.33 CCN(CCCCCF)c1ccccc1 34a_100000210013_100000729378 [0,1,0,0,1,0|2,0,0]=4 1218 B15R1.33 CCN(CCCCCO)c1ccccc1 2230a_100000210013_100000746330 [0,1,0,0,1,0|2,0,0]=4 1219 B15R1.33 CCN(CCCCCO)c1ccccc1 269982a_100000210013_100000746330 [0,1,0,0,1,0|2,0,0]=4 1220 B15R1.33 CCN(CCCCCO)c1ccccc1 34a_100000210013_100000746330 [0,1,0,0,1,0|2,0,0]=4 1221 B15R1.33 CCN(CCCCOC)c1ccccc1 2230a_100000210013_100000730899 [0,1,0,0,1,0|2,0,0]=4 1222 B15R1.33 CCN(CCCCOC)c1ccccc1 269982a_100000210013_100000730899 [0,1,0,0,1,0|2,0,0]=4 1223 B15R1.33 CCN(CCCCOC)c1ccccc1 34a_100000210013_100000755781 [0,1,0,0,1,0|2,0,0]=4 1224 B15R1.33 CCOCCCN(CC)c1ccccc1 2230a_100000210013_100012232248 [0,1,0,0,1,0|2,0,0]=4 1225 B15R1.33 CCOCCCN(CC)c1ccccc1 269982a_100000210013_100012232248 [0,1,0,0,1,0|2,0,0]=4 1226 B15R1.33 CCOCCCN(CC)c1ccccc1 34a_100000210013_100012232248 [0,1,0,0,1,0|2,0,0]=4 1227 B15R1.33 CCOCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215890 [0,1,0,0,1,0|1,0,1]=4 1228 B15R1.33 CCOCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210147 [0,1,0,0,1,0|1,0,1]=4 1229 B15R1.33 CCSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000757381 [0,1,0,0,1,0|1,0,1]=4 1230 B15R1.33 CCSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000757381 [0,1,0,0,1,0|1,0,1]=4 1231 B15R1.33 COCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000740836 [0,1,0,0,1,0|1,0,1]=4 1232 B15R1.33 COCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000740836 [0,1,0,0,1,0|1,0,1]=4 1233 B15R1.33 OCCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210776 [0,1,0,0,1,0|1,0,1]=4 1234 B15R1.33 OCCCCN[C@H](CO)c1ccccc1 34a_100000751927_100011216708 [0,1,0,0,1,0|1,0,1]=4 1235 B15R1.33 OC[C@@H](NCCCCF)c1ccccc1 2230a_100000751927_100000729493 [0,1,0,0,1,0|1,0,1]=4 1236 B15R1.33 OC[C@@H](NCCCCF)c1ccccc1 34a_100000751927_100000729493 [0,1,0,0,1,0|1,0,1]=4 1237 B15R1.101 CCCCCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000210326 [0,1,0,0,1,0|2,0,0]=4 1238 B15R1.101 CCCCCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000210215 [0,1,0,0,1,0|2,0,0]=4 1239 B15R1.101 CCCCCN(CC)c1ccc(cc1)Br 34a_100000219632_100000718602 [0,1,0,0,1,0|2,0,0]=4 1240 B15R1.101 CCCCCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210326 [0,1,0,0,1,0|2,0,0]=4 1241 B15R1.101 CCCCCN(CC)c1ccc(cc1)C 269982a_100000219985_100000210215 [0,1,0,0,1,0|2,0,0]=4 1242 B15R1.101 CCCCCN(CC)c1ccc(cc1)C 34a_100000219985_100000718602 [0,1,0,0,1,0|2,0,0]=4 1243 B15R1.101 CCCCCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210326 [0,1,0,0,1,0|2,0,0]=4 1244 B15R1.101 CCCCCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210215 [0,1,0,0,1,0|2,0,0]=4 1245 B15R1.101 CCCCCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000718602 [0,1,0,0,1,0|2,0,0]=4 1246 B15R1.101 CCCCCN(CC)c1ccc(cc1)F 2230a_100102640331_100000210326 [0,1,0,0,1,0|2,0,0]=4 1247 B15R1.101 CCCCCN(CC)c1ccc(cc1)F 269982a_100102640331_100000210215 [0,1,0,0,1,0|2,0,0]=4 1248 B15R1.101 CCCCCN(CC)c1ccc(cc1)F 34a_100102640331_100000718602 [0,1,0,0,1,0|2,0,0]=4 1249 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210326 [0,1,0,0,1,0|2,0,0]=4 1250 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210215 [0,1,0,0,1,0|2,0,0]=4 1251 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 34a_100011337800_100000718602 [0,1,0,0,1,0|2,0,0]=4 1252 B15R1.101 CCCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210211 [0,1,0,0,1,0|1,0,1]=4 1253 B15R1.101 CCCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210210 [0,1,0,0,1,0|1,0,1]=4 1254 B15R1.101 CCCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210211 [0,1,0,0,1,0|1,0,1]=4 1255 B15R1.101 CCCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210210 [0,1,0,0,1,0|1,0,1]=4 1256 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210211 [0,1,0,0,1,0|1,0,1]=4 1257 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210210 [0,1,0,0,1,0|1,0,1]=4 1258 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210211 [0,1,0,0,1,0|1,0,1]=4 1259 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210210 [0,1,0,0,1,0|1,0,1]=4 1260 B15R1.101 CCCNN=C(CO)c1ccc(cc1)Br 4a_100000740057_100011219529 [0,1,0,0,1,0|2,0,0]=4 1261 B15R1.101 CCCNN=C(CO)c1ccc(cc1)C 4a_100000740057_100000246368 [0,1,0,0,1,0|2,0,0]=4 1262 B15R1.101 CCCNN=C(CO)c1ccc(cc1)F 4a_100000740057_100000246311 [0,1,0,0,1,0|2,0,0]=4 1263 B15R1.102 CCCCCN(CC)c1cccc(c1)Br 2230a_100000738899_100000210326 [0,1,0,0,1,0|2,0,0]=4 1264 B15R1.102 CCCCCN(CC)c1cccc(c1)Br 269982a_100000738899_100000210215 [0,1,0,0,1,0|2,0,0]=4 1265 B15R1.102 CCCCCN(CC)c1cccc(c1)Br 34a_100000738899_100000718602 [0,1,0,0,1,0|2,0,0]=4 1266 B15R1.102 CCCCCN(CC)c1cccc(c1)C 2230a_100000182157_100000210326 [0,1,0,0,1,0|2,0,0]=4 1267 B15R1.102 CCCCCN(CC)c1cccc(c1)C 269982a_100000182157_100000210215 [0,1,0,0,1,0|2,0,0]=4 1268 B15R1.102 CCCCCN(CC)c1cccc(c1)C 34a_100000182157_100000718602 [0,1,0,0,1,0|2,0,0]=4 1269 B15R1.102 CCCCCN(CC)c1cccc(c1)C 7a_100000182157_100000210326 [0,1,0,0,1,0|2,0,0]=4 1270 B15R1.102 CCCCCN(CC)c1cccc(c1)O 2230a_100000717746_100000210326 [0,1,0,0,1,0|2,0,0]=4 1271 B15R1.102 CCCCCN(CC)c1cccc(c1)O 269982a_100000717746_100000210215 [0,1,0,0,1,0|2,0,0]=4 1272 B15R1.102 CCCCCN(CC)c1cccc(c1)O 34a_100000717746_100000718602 [0,1,0,0,1,0|2,0,0]=4 1273 B15R1.102 CCCCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210211 [0,1,0,0,1,0|1,0,1]=4 1274 B15R1.102 CCCCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210210 [0,1,0,0,1,0|1,0,1]=4 1275 B15R1.102 CCCCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210211 [0,1,0,0,1,0|1,0,1]=4 1276 B15R1.102 CCCCNC(CO)c1cccc(c1)O 34a_100025717460_100000210210 [0,1,0,0,1,0|1,0,1]=4 1277 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210211 [0,1,0,0,1,0|1,0,1]=4 1278 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210210 [0,1,0,0,1,0|1,0,1]=4 1279 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210211 [0,1,0,0,1,0|1,0,1]=4 1280 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210210 [0,1,0,0,1,0|1,0,1]=4 1281 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210211 [0,1,0,0,1,0|1,0,1]=4 1282 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210210 [0,1,0,0,1,0|1,0,1]=4 1283 B15R1.102 CCCNN=C(CO)c1cccc(c1)F 4a_100000740057_100011592800 [0,1,0,0,1,0|2,0,0]=4 1284 B15R1.1097 CCC(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000748023 [0,1,0,0,1,0|1,0,1]=4 1285 B15R1.1097 CCC(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100000243153 [0,1,0,0,1,0|1,0,1]=4 1286 B15R1.1097 CCC(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000748023 [0,1,0,0,1,0|1,0,1]=4 1287 B15R1.1097 CCC(C)NN=C(CO)c1ccccc1 4a_100000718999_100000748912 [0,1,0,0,1,0|2,0,0]=4 1288 B15R1.1097 CCC(O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100011218378 [0,1,0,0,1,0|1,0,1]=4 1289 B15R1.1097 CCC(O)CN[C@H](CO)c1ccccc1 34a_100000751927_100011218378 [0,1,0,0,1,0|1,0,1]=4 1290 B15R1.1097 CC[C@H](C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100009816398 [0,1,0,0,1,0|1,0,1]=4 1291 B15R1.1097 CC[C@H](C)CN[C@H](CO)c1ccccc1 34a_100000751927_100009816398 [0,1,0,0,1,0|1,0,1]=4 1292 B15R1.1215 CCCCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210211 [0,1,0,0,1,0|0,0,2]=4 1293 B15R1.1215 CCCCC(C)N(CC)c1ccccc1 2230a_100000210013_200011215066 [0,1,0,0,1,0|2,0,0]=4 1294 B15R1.1215 CCCCC(C)N(CC)c1ccccc1 269982a_100000210013_200011215066 [0,1,0,0,1,0|2,0,0]=4 1295 B15R1.1215 CCCCC(C)N(CC)c1ccccc1 34a_100000210013_200011215066 [0,1,0,0,1,0|2,0,0]=4 1296 B15R1.1257 CCCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210303 [0,1,0,0,1,0|0,0,2]=4 1297 B15R1.1257 CCCC(C)CN(CC)c1ccccc1 2230a_100000210013_100011216630 [0,1,0,0,1,0|2,0,0]=4 1298 B15R1.1257 CCCC(C)CN(CC)c1ccccc1 269982a_100000210013_100011216630 [0,1,0,0,1,0|2,0,0]=4 1299 B15R1.1257 CCCC(C)CN(CC)c1ccccc1 34a_100000210013_100011216630 [0,1,0,0,1,0|2,0,0]=4 1300 B15R1.1257 CCCC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000766640 [0,1,0,0,1,0|1,0,1]=4 1301 B15R1.1257 CCCC(C)N[C@H](CO)c1ccccc1 270004a_100000751927_100000211909 [0,1,0,0,1,0|1,0,1]=4 1302 B15R1.1257 CCCC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000766640 [0,1,0,0,1,0|1,0,1]=4 1303 B15R1.1412 C#CCN(CCCCC)c1ccccc1 2230a_200000219563_100000038162 [0,1,0,0,1,0|2,0,0]=4 1304 B15R1.1412 C#CCN(CCCCC)c1ccccc1 34a_200000219563_100000184674 [0,1,0,0,1,0|2,0,0]=4 1305 B15R1.1412 C#CCN(CCCCC)c1ccccc1 7a_200000219563_100000038162 [0,1,0,0,1,0|2,0,0]=4 1306 B15R1.1412 C=CCN(CCCCC)c1ccccc1 2230a_100000211662_100000210326 [0,1,0,0,1,0|2,0,0]=4 1307 B15R1.1412 C=CCN(CCCCC)c1ccccc1 2230a_200000219563_100000210623 [0,1,0,0,1,0|2,0,0]=4 1308 B15R1.1412 C=CCN(CCCCC)c1ccccc1 269982a_100000211662_100000210215 [0,1,0,0,1,0|2,0,0]=4 1309 B15R1.1412 C=CCN(CCCCC)c1ccccc1 269982a_200000219563_100000210623 [0,1,0,0,1,0|2,0,0]=4 1310 B15R1.1412 C=CCN(CCCCC)c1ccccc1 34a_100000211662_100000718602 [0,1,0,0,1,0|2,0,0]=4 1311 B15R1.1412 C=CCN(CCCCC)c1ccccc1 34a_200000219563_100015514636 [0,1,0,0,1,0|2,0,0]=4 1312 B15R1.1412 C=CCN(CCCCC)c1ccccc1 7a_200000219563_100015514636 [0,1,0,0,1,0|2,0,0]=4 1313 B15R1.1412 CCCCCC(NCC)c1ccccc1 269862a_100015525214_100000211787 [0,1,0,0,1,0|1,0,1]=4 1314 B15R1.1412 CCCCCC(OCC)c1ccccc1 34a_100000748122_100000210202 [0,1,0,0,1,0|1,0,1]=4 1315 B15R1.1412 CCCCCC(OCC)c1ccccc1 7a_100000748122_100000210202 [0,1,0,0,1,0|1,0,1]=4 1316 B15R1.1412 CCCCCC(OCF)c1ccccc1 34a_100000748122_100015361967 [0,1,0,0,1,0|1,0,1]=4 1317 B15R1.1412 CCCCCC(OCF)c1ccccc1 7a_100000748122_100015361967 [0,1,0,0,1,0|1,0,1]=4 1318 B15R1.1412 CCCCCN(CC#N)c1ccccc1 2230a_200000219563_100011215382 [0,1,0,0,1,0|2,0,0]=4 1319 B15R1.1412 CCCCCN(CC#N)c1ccccc1 269982a_200000219563_100011214920 [0,1,0,0,1,0|2,0,0]=4 1320 B15R1.1412 CCCCCN(CC#N)c1ccccc1 7a_200000219563_100011215382 [0,1,0,0,1,0|2,0,0]=4 1321 B15R1.1412 CCCCCN(CC=O)c1ccccc1 2230a_200000219563_200015260668 [0,1,0,0,1,0|1,0,1]=4 1322 B15R1.1412 CCCCCN(CC=O)c1ccccc1 269982a_200000219563_200015260668 [0,1,0,0,1,0|1,0,1]=4 1323 B15R1.1412 CCCCCN(CC=O)c1ccccc1 34a_200000219563_200009817547 [0,1,0,0,1,0|1,0,1]=4 1324 B15R1.1412 CCCCCN(CC=O)c1ccccc1 7a_200000219563_200015260668 [0,1,0,0,1,0|1,0,1]=4 1325 B15R1.1412 CCCCCN(CCC)c1ccccc1 2230a_200000219563_100000210303 [0,1,0,0,1,0|2,0,0]=4 1326 B15R1.1412 CCCCCN(CCC)c1ccccc1 2230a_200011218496_100000210326 [0,1,0,0,1,0|2,0,0]=4 1327 B15R1.1412 CCCCCN(CCC)c1ccccc1 269982a_200000219563_100000210303 [0,1,0,0,1,0|2,0,0]=4 1328 B15R1.1412 CCCCCN(CCC)c1ccccc1 269982a_200011218496_100000210215 [0,1,0,0,1,0|2,0,0]=4 1329 B15R1.1412 CCCCCN(CCC)c1ccccc1 34a_200000219563_100000210303 [0,1,0,0,1,0|2,0,0]=4 1330 B15R1.1412 CCCCCN(CCC)c1ccccc1 34a_200011218496_100000718602 [0,1,0,0,1,0|2,0,0]=4 1331 B15R1.1412 CCCCCN(CCC)c1ccccc1 7a_200000219563_100000210303 [0,1,0,0,1,0|2,0,0]=4 1332 B15R1.1412 CCCCCN(CCF)c1ccccc1 2230a_200000219563_100011217306 [0,1,0,0,1,0|2,0,0]=4 1333 B15R1.1412 CCCCCN(CCF)c1ccccc1 269982a_200000219563_100011217306 [0,1,0,0,1,0|2,0,0]=4 1334 B15R1.1412 CCCCCN(CCF)c1ccccc1 34a_200000219563_100011217306 [0,1,0,0,1,0|2,0,0]=4 1335 B15R1.1412 CCCCCN(CCF)c1ccccc1 7a_200000219563_100011217306 [0,1,0,0,1,0|2,0,0]=4 1336 B15R1.1412 CCCCCN(CCO)c1ccccc1 2230a_100000211345_100000210326 [0,1,0,0,1,0|1,0,0]=3 1337 B15R1.1412 CCCCCN(CCO)c1ccccc1 2230a_200000219563_100000211926 [0,1,0,0,1,0|1,0,0]=3 1338 B15R1.1412 CCCCCN(CCO)c1ccccc1 269982a_100000211345_100000210215 [0,1,0,0,1,0|1,0,0]=3 1339 B15R1.1412 CCCCCN(CCO)c1ccccc1 269982a_200000219563_100000211926 [0,1,0,0,1,0|1,0,0]=3 1340 B15R1.1412 CCCCCN(CCO)c1ccccc1 34a_100000211345_100000718602 [0,1,0,0,1,0|1,0,0]=3 1341 B15R1.1412 CCCCCN(CCO)c1ccccc1 34a_200000219563_100000211926 [0,1,0,0,1,0|1,0,0]=3 1342 B15R1.1412 CCCCCN(CCO)c1ccccc1 7a_200000219563_100000211926 [0,1,0,0,1,0|1,0,0]=3 1343 B15R1.1412 CCCCCN(COC)c1ccccc1 2230a_200000219563_100000766300 [0,1,0,0,1,0|1,0,0]=3 1344 B15R1.1412 CCCCCN(COC)c1ccccc1 269982a_200000219563_100000766300 [0,1,0,0,1,0|1,0,0]=3 1345 B15R1.1412 CCCCCN(CSC)c1ccccc1 2230a_200000219563_100011218213 [0,1,0,0,1,0|1,1,0]=4 1346 B15R1.1412 CCCCCN(CSC)c1ccccc1 269982a_200000219563_100011218213 [0,1,0,0,1,0|1,1,0]=4 1347 B15R1.1412 CCCCCN(CSC)c1ccccc1 34a_200000219563_100011218213 [0,1,0,0,1,0|1,1,0]=4 1348 B15R1.1412 CCCCNC(COC)c1ccccc1 269862a_100000102301_100000765260 [0,1,0,0,1,0|1,0,1]=4 1349 B15R1.1412 CCCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210211 [0,1,0,0,1,0|1,0,1]=4 1350 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210211 [0,1,0,0,1,0|1,0,1]=4 1351 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 34a_103619048568_100000210210 [0,1,0,0,1,0|1,0,1]=4 1352 B15R1.1412 CCCNN=C(COC)c1ccccc1 4a_100000740057_100000765260 [0,1,0,0,1,0|2,0,0]=4 1353 B15R1.1412 CCOCCN(CCO)c1ccccc1 2230a_100000211345_100011215890 [0,1,0,0,1,0|2,0,0]=4 1354 B15R1.1412 CCOCCN(CCO)c1ccccc1 269982a_100000211345_100011215890 [0,1,0,0,1,0|2,0,0]=4 1355 B15R1.1412 CCOCCN(CCO)c1ccccc1 34a_100000211345_100000210147 [0,1,0,0,1,0|2,0,0]=4 1356 B15R1.1412 CCSCCN(CCO)c1ccccc1 2230a_100000211345_100000757381 [0,1,0,0,1,0|2,0,0]=4 1357 B15R1.1412 CCSCCN(CCO)c1ccccc1 269982a_100000211345_100000757381 [0,1,0,0,1,0|2,0,0]=4 1358 B15R1.1412 CCSCCN(CCO)c1ccccc1 34a_100000211345_100000757381 [0,1,0,0,1,0|2,0,0]=4 1359 B15R1.1412 COCCCN(CCO)c1ccccc1 2230a_100000211345_100000740836 [0,1,0,0,1,0|2,0,0]=4 1360 B15R1.1412 COCCCN(CCO)c1ccccc1 269982a_100000211345_100000740836 [0,1,0,0,1,0|2,0,0]=4 1361 B15R1.1412 COCCCN(CCO)c1ccccc1 34a_100000211345_100000740836 [0,1,0,0,1,0|2,0,0]=4 1362 B15R1.1412 OCCCCN(CCO)c1ccccc1 2230a_100000211345_100000210776 [0,1,0,0,1,0|2,0,0]=4 1363 B15R1.1412 OCCCCN(CCO)c1ccccc1 269982a_100000211345_100000210776 [0,1,0,0,1,0|2,0,0]=4 1364 B15R1.1412 OCCCCN(CCO)c1ccccc1 34a_100000211345_100011216708 [0,1,0,0,1,0|2,0,0]=4 1365 B15R1.1412 OCCN(CCCCF)c1ccccc1 2230a_100000211345_100000729493 [0,1,0,0,1,0|2,0,0]=4 1366 B15R1.1412 OCCN(CCCCF)c1ccccc1 269982a_100000211345_100000729493 [0,1,0,0,1,0|2,0,0]=4 1367 B15R1.1412 OCCN(CCCCF)c1ccccc1 34a_100000211345_100000729493 [0,1,0,0,1,0|2,0,0]=4 1368 B15R1.3402 CCCCCN(CC)c1ccccc1Br 2230a_114873767003_100000210326 [0,1,0,0,1,0|2,0,0]=4 1369 B15R1.3402 CCCCCN(CC)c1ccccc1Br 269982a_114873767003_100000210215 [0,1,0,0,1,0|2,0,0]=4 1370 B15R1.3402 CCCCCN(CC)c1ccccc1Br 34a_114873767003_100000718602 [0,1,0,0,1,0|2,0,0]=4 1371 B15R1.3402 CCCCCN(CC)c1ccccc1C 2230a_100000211084_100000210326 [0,1,0,0,1,0|2,0,0]=4 1372 B15R1.3402 CCCCCN(CC)c1ccccc1C 269982a_100000211084_100000210215 [0,1,0,0,1,0|2,0,0]=4 1373 B15R1.3402 CCCCCN(CC)c1ccccc1C 34a_100000211084_100000718602 [0,1,0,0,1,0|2,0,0]=4 1374 B15R1.3402 CCCCCN(CC)c1ccccc1F 2230a_100000220365_100000210326 [0,1,0,0,1,0|2,0,0]=4 1375 B15R1.3402 CCCCCN(CC)c1ccccc1F 269982a_100000220365_100000210215 [0,1,0,0,1,0|2,0,0]=4 1376 B15R1.3402 CCCCCN(CC)c1ccccc1F 34a_100000220365_100000718602 [0,1,0,0,1,0|2,0,0]=4 1377 B15R1.3402 CCCCCN(CC)c1ccccc1O 269982a_103624766699_100000210215 [0,1,0,0,1,0|2,0,0]=4 1378 B15R1.3402 CCCCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210211 [0,1,0,0,1,0|1,0,1]=4 1379 B15R1.3402 CCCCNC(CO)c1ccccc1Cl 34a_100138412506_100000210210 [0,1,0,0,1,0|1,0,1]=4 1380 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210211 [0,1,0,0,1,0|1,0,1]=4 1381 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000210210 [0,1,0,0,1,0|1,0,1]=4 1382 B15R1.3402 CCCCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210211 [0,1,0,0,1,0|1,0,1]=4 1383 B15R1.3402 CCCCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000210210 [0,1,0,0,1,0|1,0,1]=4 1384 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 2230a_100000210572_100000210326 [0,1,0,0,1,0|2,0,0]=4 1385 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 2230a_200000219563_100000210206 [0,1,0,0,1,0|2,0,0]=4 1386 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 269982a_100000210572_100000210215 [0,1,0,0,1,0|2,0,0]=4 1387 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 269982a_200000219563_100000210206 [0,1,0,0,1,0|2,0,0]=4 1388 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 34a_100000210572_100000718602 [0,1,0,0,1,0|2,0,0]=4 1389 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 34a_200000219563_100000210206 [0,1,0,0,1,0|2,0,0]=4 1390 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 7a_100000210572_100000210326 [0,1,0,0,1,0|2,0,0]=4 1391 B15R1.3474 CCCCCN(c1ccccc1)C(C)C 7a_200000219563_100000210206 [0,1,0,0,1,0|2,0,0]=4 1392 B15R1.3474 CCCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210211 [0,1,0,0,1,0|1,0,1]=4 1393 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210312 [0,1,0,0,1,0|1,0,1]=4 1394 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 269862a_100000751927_100000185833 [0,1,0,0,1,0|1,0,1]=4 1395 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210312 [0,1,0,0,1,0|1,0,1]=4 1396 B15R1.5331 CC(O)CCN[C@H](CO)c1ccccc1 2230a_100000751927_100012276601 [0,1,0,0,1,0|1,0,1]=4 1397 B15R1.5331 CC(O)CCN[C@H](CO)c1ccccc1 34a_100000751927_100012276601 [0,1,0,0,1,0|1,0,1]=4 1398 B15R1.5331 CC(O)CNN=C(CO)c1ccccc1 4a_200000730056_100000748912 [0,1,0,0,1,0|2,0,0]=4 1399 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 2230a_100000210013_100011214892 [0,1,0,0,1,0|2,0,0]=4 1400 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 269982a_100000210013_100011214892 [0,1,0,0,1,0|2,0,0]=4 1401 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 34a_100000210013_100011214892 [0,1,0,0,1,0|2,0,0]=4 1402 B15R1.5331 CCN(CCCC(C)O)c1ccccc1 2230a_100000210013_200000718107 [0,1,0,0,1,0|2,0,0]=4 1403 B15R1.5331 CCN(CCCC(C)O)c1ccccc1 269982a_100000210013_200000718107 [0,1,0,0,1,0|2,0,0]=4 1404 B15R1.5331 CCN(CCCC(C)O)c1ccccc1 34a_100000210013_200000718107 [0,1,0,0,1,0|2,0,0]=4 1405 B17R1.1910 CCCCCC(=NNc1ccc(cc1)Br)CC 4a_100000735608_100011215316 [0,1,0,0,0,1|2,0,0]=4 1406 B17R1.1910 CCCCCC(=NNc1ccc(cc1)C)CC 4a_100000683527_100011215316 [0,1,0,0,0,1|2,0,0]=4 1407 B17R1.1910 CCCCCC(=NNc1ccc(cc1)Cl)CC 4a_100000683521_100011215316 [0,1,0,0,0,1|2,0,0]=4 1408 B17R1.1910 CCCCCC(=NNc1ccc(cc1)F)CC 4a_100000728448_100011215316 [0,1,0,0,0,1|2,0,0]=4 1409 B17R1.1910 CCCCCC(=NNc1ccc(cc1)I)CC 4a_100016988836_100011215316 [0,1,0,0,0,1|2,0,0]=4 1410 B17R1.1917 CCCCCC(CC)C(=O)Cc1ccccc1 1458a_100000697129_100015291786 [0,1,0,0,0,1|1,0,1]=4 1411 B17R1.1917 CCCCCC(CC)C(=O)Nc1ccccc1 11a_100000106764_100000697129 [0,1,0,0,0,1|1,0,1]=4 1412 B17R1.1917 CCCCCC(CC)C(=O)Nc1ccccc1 1626a_100000106764_100000697129 [0,1,0,0,0,1|1,0,1]=4 1413 B17R1.1917 CCCCCC(CC)C(=O)Nc1ccccc1 22a_100000106764_100000697129 [0,1,0,0,0,1|1,0,1]=4 1414 B17R1.1917 CCCCCC(CC)C(=O)Nc1ccccc1 527a_100000106764_100000697129 [0,1,0,0,0,1|1,0,1]=4 1415 B17R1.1940 CCCCCC(=NNc1cccc(c1)Br)CC 4a_100000217339_100011215316 [0,1,0,0,0,1|2,0,0]=4 1416 B17R1.1940 CCCCCC(=NNc1cccc(c1)C)CC 4a_100000681630_100011215316 [0,1,0,0,0,1|2,0,0]=4 1417 B17R1.1940 CCCCCC(=NNc1cccc(c1)Cl)CC 4a_100000184277_100011215316 [0,1,0,0,0,1|2,0,0]=4 1418 B17R1.1940 CCCCCC(=NNc1cccc(c1)F)CC 4a_100000745080_100011215316 [0,1,0,0,0,1|2,0,0]=4 1419 B17R1.1940 CCCCCC(=NNc1cccc(c1)I)CC 4a_100020605690_100011215316 [0,1,0,0,0,1|2,0,0]=4 1420 B17R1.5128 CCCCCCC(=NNc1ccccc1)CC 4a_100015195140_100011219640 [0,1,0,0,0,1|2,0,0]=4 1421 B17R1.7833 CCCCCC(=NNc1ccccc1Br)CC 4a_100000241748_100011215316 [0,1,0,0,0,1|2,0,0]=4 1422 B17R1.7833 CCCCCC(=NNc1ccccc1C)CC 4a_100000184220_100011215316 [0,1,0,0,0,1|2,0,0]=4 1423 B17R1.7833 CCCCCC(=NNc1ccccc1Cl)CC 4a_100000683529_100011215316 [0,1,0,0,0,1|2,0,0]=4 1424 B17R1.7833 CCCCCC(=NNc1ccccc1F)CC 4a_100000239246_100011215316 [0,1,0,0,0,1|2,0,0]=4 1425 B17R1.7833 CCCCCC(=NNc1ccccc1I)CC 4a_100011218156_100011215316 [0,1,0,0,0,1|2,0,0]=4 1426 B17R1.25050 CCCCCC(=NNc1ccccc1)CCC 4a_100015195140_200011216343 [0,1,0,0,0,1|2,0,0]=4 1427 B17R1.25050 CCCCCN(CCO)CCc1ccccc1 2230a_100000224656_100000765856 [0,1,0,0,0,1|1,0,1]=4 1428 B17R1.25050 CCCCCN(CCO)CCc1ccccc1 269982a_100000224656_100000765856 [0,1,0,0,0,1|1,0,1]=4 1429 B17R1.25050 CCCCCN(CCO)CSc1ccccc1 2230a_100000224656_100011218342 [0,1,0,0,0,1|1,0,1]=4 1430 B17R1.25050 CCCCCN(CCO)CSc1ccccc1 269982a_100000224656_100011218342 [0,1,0,0,0,1|1,0,1]=4 1431 B17R1.1598 CCCCC(C)N(CCO)Cc1ccccc1 2230a_100000180844_200011215066 [0,2,0,0,0,0|1,0,1]=4 1432 B17R1.1598 CCCCC(C)N(CCO)Cc1ccccc1 269982a_100000180844_200011215066 [0,2,0,0,0,0|1,0,1]=4 1433 B17R1.1598 CCCCC(C)N(CCO)Cc1ccccc1 270004a_100000180844_100000210087 [0,2,0,0,0,0|1,0,1]=4 1434 B17R1.4026 CCCCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210326 [0,2,0,0,0,0|1,0,1]=4 1435 B17R1.4026 CCCCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210326 [0,2,0,0,0,0|0,0,2]=4 1436 B17R1.4026 CCCCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210215 [0,2,0,0,0,0|0,0,2]=4 1437 B17R1.1563 CCCCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_200011215066 [0,2,0,0,0,0|0,0,2]=4 1438 B17R1.1563 CCCCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000210087 [0,2,0,0,0,0|0,0,2]=4 1439 B17R1.1681 CCCC(C)CN(CCO)Cc1ccccc1 2230a_100000180844_100011216630 [0,2,0,0,0,0|1,0,1]=4 1440 B17R1.1681 CCCC(C)CN(CCO)Cc1ccccc1 269982a_100000180844_100011216630 [0,2,0,0,0,0|1,0,1]=4 1441 B17R1.1681 CCCC(C)CN(CCO)Cc1ccccc1 270004a_100000180844_100000243154 [0,2,0,0,0,0|1,0,1]=4 1442 B17R1.1462 CCCCCCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200011216759 [0,2,0,0,0,0|1,0,1]=4 1443 B17R1.1462 CCCCCCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200011216759 [0,2,0,0,0,0|1,0,1]=4 1444 B17R1.1462 CCCCCCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200011216759 [0,2,0,0,0,0|1,0,1]=4 1445 B17R1.1462 CCCCCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000210326 [0,2,0,0,0,0|0,0,2]=4 1446 B17R1.1462 CCCCCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000718602 [0,2,0,0,0,0|0,0,2]=4 1447 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210326 [0,2,0,0,0,0|0,0,2]=4 1448 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000718602 [0,2,0,0,0,0|0,0,2]=4 1449 B17R1.1462 CCCCOCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_100011215793 [0,2,0,0,0,0|1,0,1]=4 1450 B17R1.1462 CCCCOCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_100011215793 [0,2,0,0,0,0|1,0,1]=4 1451 B17R1.1462 CCCCOCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_100011215793 [0,2,0,0,0,0|1,0,1]=4 1452 B17R1.1462 N#CC(=Cc1ccc(cc1)Br)CCCCCBr 6a_100000186029_100009813337 [0,2,0,0,0,0|1,0,1]=4 1453 B17R1.1462 N#CC(=Cc1ccc(cc1)Br)CCCCCCl 6a_100000186029_200000039078 [0,2,0,0,0,0|1,0,1]=4 1454 B17R1.1462 N#CC(=Cc1ccc(cc1)F)CCCCCBr 6a_100000210084_100009813337 [0,2,0,0,0,0|1,0,1]=4 1455 B17R1.1462 N#CC(=Cc1ccc(cc1)F)CCCCCCl 6a_100000210084_200000039078 [0,2,0,0,0,0|1,0,1]=4 1456 B17R1.1462 N#CC(=Cc1ccc(cc1)I)CCCCCBr 6a_100000188517_100009813337 [0,2,0,0,0,0|1,0,1]=4 1457 B17R1.1462 N#CC(=Cc1ccc(cc1)I)CCCCCCl 6a_100000188517_200000039078 [0,2,0,0,0,0|1,0,1]=4 1458 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_100000210326 [0,2,0,0,0,0|1,0,1]=4 1459 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 2230a_100000224656_100011217064 [0,2,0,0,0,0|1,0,1]=4 1460 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_100000210215 [0,2,0,0,0,0|1,0,1]=4 1461 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 269982a_100000224656_100011217064 [0,2,0,0,0,0|1,0,1]=4 1462 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 26a_100000224656_100000185759 [0,2,0,0,0,0|1,0,1]=4 1463 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 270004a_100000224656_100000186029 [0,2,0,0,0,0|1,0,1]=4 1464 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 34a_100000186819_100000718602 [0,2,0,0,0,0|1,0,1]=4 1465 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 2230a_100000186992_100000210326 [0,2,0,0,0,0|1,0,1]=4 1466 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 2230a_100000224656_100000210814 [0,2,0,0,0,0|1,0,1]=4 1467 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 269982a_100000186992_100000210215 [0,2,0,0,0,0|1,0,1]=4 1468 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 269982a_100000224656_100000210814 [0,2,0,0,0,0|1,0,1]=4 1469 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 26a_100000224656_200020625495 [0,2,0,0,0,0|1,0,1]=4 1470 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 270004a_100000224656_100000211033 [0,2,0,0,0,0|1,0,1]=4 1471 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C 34a_100000186992_100000718602 [0,2,0,0,0,0|1,0,1]=4 1472 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 2230a_100000189089_100000211926 [0,2,0,0,0,0|1,0,1]=4 1473 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 2230a_100000224656_100000694040 [0,2,0,0,0,0|1,0,1]=4 1474 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 269982a_100000189089_100000211926 [0,2,0,0,0,0|1,0,1]=4 1475 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 269982a_100000224656_100000187161 [0,2,0,0,0,0|1,0,1]=4 1476 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 270004a_100000224656_100000189385 [0,2,0,0,0,0|1,0,1]=4 1477 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl 34a_100000189089_100000211926 [0,2,0,0,0,0|1,0,1]=4 1478 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 2230a_100000180876_100000211926 [0,2,0,0,0,0|1,0,1]=4 1479 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 2230a_100000224656_100000198546 [0,2,0,0,0,0|1,0,1]=4 1480 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 2230a_100015183715_100000210326 [0,2,0,0,0,0|1,0,1]=4 1481 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 269982a_100000180876_100000211926 [0,2,0,0,0,0|1,0,1]=4 1482 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 269982a_100000224656_100000198546 [0,2,0,0,0,0|1,0,1]=4 1483 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 269982a_100015183715_100000210215 [0,2,0,0,0,0|1,0,1]=4 1484 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 270004a_100000224656_100000210084 [0,2,0,0,0,0|1,0,1]=4 1485 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 34a_100000180876_100000211926 [0,2,0,0,0,0|1,0,1]=4 1486 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 34a_100015183715_100000718602 [0,2,0,0,0,0|1,0,1]=4 1487 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)I 2230a_100000224656_100000189116 [0,2,0,0,0,0|1,0,1]=4 1488 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)I 269982a_100000224656_100000189116 [0,2,0,0,0,0|1,0,1]=4 1489 B17R1.1500 CCCCCN(COC)Cc1ccc(cc1)Cl 2230a_100000189089_100000766300 [0,2,0,0,0,0|1,0,1]=4 1490 B17R1.1500 CCCCCN(COC)Cc1ccc(cc1)Cl 269982a_100000189089_100000766300 [0,2,0,0,0,0|1,0,1]=4 1491 B17R1.1500 CCCCCN(COC)Cc1ccc(cc1)F 2230a_100000180876_100000766300 [0,2,0,0,0,0|1,0,1]=4 1492 B17R1.1500 CCCCCN(COC)Cc1ccc(cc1)F 269982a_100000180876_100000766300 [0,2,0,0,0,0|1,0,1]=4 1493 B17R1.3740 CCCCCC(=Cc1ccc(cc1Br)I)C#N 6a_100010185650_100011218096 [0,2,0,0,0,0|1,0,1]=4 1494 B17R1.3740 CCCCCC(=Cc1ccc(cc1Cl)I)C#N 6a_100000727542_100011218096 [0,2,0,0,0,0|1,0,1]=4 1495 B17R1.3740 CCCCCC(=Cc1ccc(cc1F)Br)C#N 6a_100000211676_100011218096 [0,2,0,0,0,0|1,0,1]=4 1496 B17R1.3740 CCCCCC(=Cc1ccc(cc1F)C)C#N 6a_100011217368_100011218096 [0,2,0,0,0,0|1,0,1]=4 1497 B17R1.3740 CCCCCC(=Cc1ccc(cc1F)F)C#N 6a_100000211964_100011218096 [0,2,0,0,0,0|1,0,1]=4 1498 B17R1.3740 CCCCCC(=Cc1ccc(cc1F)I)C#N 6a_100000050965_100011218096 [0,2,0,0,0,0|1,0,1]=4 1499 B17R1.3740 CCCCCC(=Cc1ccc(cc1I)Br)C#N 6a_100010146562_100011218096 [0,2,0,0,0,0|1,0,1]=4 1500 B17R1.3740 CCCCCC(=Cc1ccc(cc1I)C)C#N 6a_100010150104_100011218096 [0,2,0,0,0,0|1,0,1]=4 1501 B17R1.3740 CCCCCC(=Cc1ccc(cc1I)F)C#N 6a_100010254405_100011218096 [0,2,0,0,0,0|1,0,1]=4 1502 B17R1.3740 CCCCCC(=Cc1ccc(cc1I)O)C#N 6a_100000051608_100011218096 [0,2,0,0,0,0|1,0,1]=4 1503 B17R1.3740 CCCCCC(=Cc1ccc(cc1O)I)C#N 6a_100000050530_100011218096 [0,2,0,0,0,0|1,0,1]=4 1504 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Br)Cl)C#N 6a_100000693810_100011218096 [0,2,0,0,0,0|1,0,1]=4 1505 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Br)F)C#N 6a_100000211747_100011218096 [0,2,0,0,0,0|1,0,1]=4 1506 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)C)C)C#N 6a_100000229942_100011218096 [0,2,0,0,0,0|1,0,1]=4 1507 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)C)Cl)C#N 6a_100000698814_100011218096 [0,2,0,0,0,0|1,0,1]=4 1508 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)C)F)C#N 6a_100000748208_100011218096 [0,2,0,0,0,0|1,0,1]=4 1509 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Cl)C)C#N 6a_100000760539_100011218096 [0,2,0,0,0,0|1,0,1]=4 1510 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Cl)Cl)C#N 6a_100000188533_100011218096 [0,2,0,0,0,0|1,0,1]=4 1511 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Cl)F)C#N 6a_100000742290_100011218096 [0,2,0,0,0,0|1,0,1]=4 1512 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)Cl)O)C#N 6a_100000186751_100011218096 [0,2,0,0,0,0|1,0,1]=4 1513 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)Br)C#N 6a_100000686674_100011218096 [0,2,0,0,0,0|1,0,1]=4 1514 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)C)C#N 6a_100000753222_100011218096 [0,2,0,0,0,0|1,0,1]=4 1515 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)Cl)C#N 6a_100000745630_100011218096 [0,2,0,0,0,0|1,0,1]=4 1516 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)F)C#N 6a_100000211062_100011218096 [0,2,0,0,0,0|1,0,1]=4 1517 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)I)C#N 6a_100000050832_100011218096 [0,2,0,0,0,0|1,0,1]=4 1518 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)F)O)C#N 6a_100000742332_100011218096 [0,2,0,0,0,0|1,0,1]=4 1519 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)I)Br)C#N 6a_100010146563_100011218096 [0,2,0,0,0,0|1,0,1]=4 1520 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)I)C)C#N 6a_100010197721_100011218096 [0,2,0,0,0,0|1,0,1]=4 1521 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)I)Cl)C#N 6a_100010209939_100011218096 [0,2,0,0,0,0|1,0,1]=4 1522 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)I)F)C#N 6a_100010188209_100011218096 [0,2,0,0,0,0|1,0,1]=4 1523 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)I)O)C#N 6a_100000186752_100011218096 [0,2,0,0,0,0|1,0,1]=4 1524 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)O)Cl)C#N 6a_100009876013_100011218096 [0,2,0,0,0,0|1,0,1]=4 1525 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)O)F)C#N 6a_100000102368_100011218096 [0,2,0,0,0,0|1,0,1]=4 1526 B17R1.25624 CCCCCC(=Cc1ccc(c(c1)O)I)C#N 6a_100000041418_100011218096 [0,2,0,0,0,0|1,0,1]=4 1527 B17R1.1269 CCCCCC(=Cc1cccc(c1F)F)C#N 6a_100000753312_100011218096 [0,2,0,0,0,0|1,0,1]=4 1528 B17R1.1269 CCCCCC(=Cc1cccc(c1F)I)C#N 6a_100010202174_100011218096 [0,2,0,0,0,0|1,0,1]=4 1529 B17R1.1269 CCCCCC(=Cc1cccc(c1I)F)C#N 6a_100010186293_100011218096 [0,2,0,0,0,0|1,0,1]=4 1530 B17R1.1463 CCCCCCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200011216759 [0,2,0,0,0,0|1,0,1]=4 1531 B17R1.1463 CCCCCCC(=Cc1cccc(c1)F)C#N 6a_100000210812_200011216759 [0,2,0,0,0,0|1,0,1]=4 1532 B17R1.1463 CCCCCCC(=Cc1cccc(c1)I)C#N 6a_100000014684_200011216759 [0,2,0,0,0,0|1,0,1]=4 1533 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000210326 [0,2,0,0,0,0|0,0,2]=4 1534 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000718602 [0,2,0,0,0,0|0,0,2]=4 1535 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000210326 [0,2,0,0,0,0|0,0,2]=4 1536 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000718602 [0,2,0,0,0,0|0,0,2]=4 1537 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000210326 [0,2,0,0,0,0|0,0,2]=4 1538 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000718602 [0,2,0,0,0,0|0,0,2]=4 1539 B17R1.1463 CCCCOCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_100011215793 [0,2,0,0,0,0|1,0,1]=4 1540 B17R1.1463 CCCCOCC(=Cc1cccc(c1)F)C#N 6a_100000210812_100011215793 [0,2,0,0,0,0|1,0,1]=4 1541 B17R1.1463 CCCCOCC(=Cc1cccc(c1)I)C#N 6a_100000014684_100011215793 [0,2,0,0,0,0|1,0,1]=4 1542 B17R1.1463 N#CC(=Cc1cccc(c1)Br)CCCCCBr 6a_100000210085_100009813337 [0,2,0,0,0,0|1,0,1]=4 1543 B17R1.1463 N#CC(=Cc1cccc(c1)Br)CCCCCCl 6a_100000210085_200000039078 [0,2,0,0,0,0|1,0,1]=4 1544 B17R1.1463 N#CC(=Cc1cccc(c1)F)CCCCCBr 6a_100000210812_100009813337 [0,2,0,0,0,0|1,0,1]=4 1545 B17R1.1463 N#CC(=Cc1cccc(c1)F)CCCCCCl 6a_100000210812_200000039078 [0,2,0,0,0,0|1,0,1]=4 1546 B17R1.1463 N#CC(=Cc1cccc(c1)I)CCCCCBr 6a_100000014684_100009813337 [0,2,0,0,0,0|1,0,1]=4 1547 B17R1.1463 N#CC(=Cc1cccc(c1)I)CCCCCCl 6a_100000014684_200000039078 [0,2,0,0,0,0|1,0,1]=4 1548 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Br 2230a_100000224656_100000698116 [0,2,0,0,0,0|1,0,1]=4 1549 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Br 269982a_100000224656_100000211773 [0,2,0,0,0,0|1,0,1]=4 1550 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Br 26a_100000224656_100000210342 [0,2,0,0,0,0|1,0,1]=4 1551 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Br 270004a_100000224656_100000210085 [0,2,0,0,0,0|1,0,1]=4 1552 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)C 2230a_100000224656_100000211840 [0,2,0,0,0,0|1,0,1]=4 1553 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)C 269982a_100000224656_100000211840 [0,2,0,0,0,0|1,0,1]=4 1554 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)C 270004a_100000224656_100000211157 [0,2,0,0,0,0|1,0,1]=4 1555 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 2230a_100000224656_100000181238 [0,2,0,0,0,0|1,0,1]=4 1556 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 2230a_100000719050_100000210326 [0,2,0,0,0,0|1,0,1]=4 1557 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 269982a_100000224656_100000181238 [0,2,0,0,0,0|1,0,1]=4 1558 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 269982a_100000719050_100000210215 [0,2,0,0,0,0|1,0,1]=4 1559 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 270004a_100000224656_100000210801 [0,2,0,0,0,0|1,0,1]=4 1560 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 34a_100000719050_100000718602 [0,2,0,0,0,0|1,0,1]=4 1561 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)F 2230a_100000224656_100000230114 [0,2,0,0,0,0|1,0,1]=4 1562 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)F 269982a_100000224656_100000230114 [0,2,0,0,0,0|1,0,1]=4 1563 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)F 270004a_100000224656_100000210812 [0,2,0,0,0,0|1,0,1]=4 1564 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)I 2230a_100000224656_100011218688 [0,2,0,0,0,0|1,0,1]=4 1565 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)I 269982a_100000224656_100011218688 [0,2,0,0,0,0|1,0,1]=4 1566 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)I 270004a_100000224656_100000014684 [0,2,0,0,0,0|1,0,1]=4 1567 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)O 2230a_100000224656_100011660834 [0,2,0,0,0,0|1,0,1]=4 1568 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)O 269982a_100000224656_100000084143 [0,2,0,0,0,0|1,0,1]=4 1569 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)O 270004a_100000224656_100000188321 [0,2,0,0,0,0|1,0,1]=4 1570 B17R1.25609 CCCCCC(=Cc1cc(ccc1Br)I)C#N 6a_100010185652_100011218096 [0,2,0,0,0,0|1,0,1]=4 1571 B17R1.25609 CCCCCC(=Cc1cc(ccc1Cl)I)C#N 6a_100010254384_100011218096 [0,2,0,0,0,0|1,0,1]=4 1572 B17R1.25609 CCCCCC(=Cc1cc(ccc1F)Br)C#N 6a_100000211465_100011218096 [0,2,0,0,0,0|1,0,1]=4 1573 B17R1.25609 CCCCCC(=Cc1cc(ccc1F)C)C#N 6a_100000756917_100011218096 [0,2,0,0,0,0|1,0,1]=4 1574 B17R1.25609 CCCCCC(=Cc1cc(ccc1F)Cl)C#N 6a_100000745245_100011218096 [0,2,0,0,0,0|1,0,1]=4 1575 B17R1.25609 CCCCCC(=Cc1cc(ccc1F)F)C#N 6a_100000740046_100011218096 [0,2,0,0,0,0|1,0,1]=4 1576 B17R1.25609 CCCCCC(=Cc1cc(ccc1F)I)C#N 6a_100000050626_100011218096 [0,2,0,0,0,0|1,0,1]=4 1577 B17R1.25609 CCCCCC(=Cc1cc(ccc1I)Br)C#N 6a_100010185651_100011218096 [0,2,0,0,0,0|1,0,1]=4 1578 B17R1.25609 CCCCCC(=Cc1cc(ccc1I)C)C#N 6a_100010150105_100011218096 [0,2,0,0,0,0|1,0,1]=4 1579 B17R1.25609 CCCCCC(=Cc1cc(ccc1I)Cl)C#N 6a_100010254386_100011218096 [0,2,0,0,0,0|1,0,1]=4 1580 B17R1.25609 CCCCCC(=Cc1cc(ccc1I)F)C#N 6a_100010186294_100011218096 [0,2,0,0,0,0|1,0,1]=4 1581 B17R1.25609 CCCCCC(=Cc1cc(ccc1I)O)C#N 6a_100000069132_100011218096 [0,2,0,0,0,0|1,0,1]=4 1582 B17R1.25609 CCCCCC(=Cc1cc(ccc1O)I)C#N 6a_100011215628_100011218096 [0,2,0,0,0,0|1,0,1]=4 1583 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Br)Br)C#N 6a_100000719502_100011218096 [0,2,0,0,0,0|1,0,1]=4 1584 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Br)C)C#N 6a_100000686105_100011218096 [0,2,0,0,0,0|1,0,1]=4 1585 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Br)Cl)C#N 6a_100011934515_100011218096 [0,2,0,0,0,0|1,0,1]=4 1586 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Br)F)C#N 6a_100011794424_100011218096 [0,2,0,0,0,0|1,0,1]=4 1587 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Br)O)C#N 6a_100010176088_100011218096 [0,2,0,0,0,0|1,0,1]=4 1588 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)C)C)C#N 6a_100000745632_100011218096 [0,2,0,0,0,0|1,0,1]=4 1589 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Cl)C)C#N 6a_100000684525_100011218096 [0,2,0,0,0,0|1,0,1]=4 1590 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Cl)Cl)C#N 6a_100000741761_100011218096 [0,2,0,0,0,0|1,0,1]=4 1591 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Cl)F)C#N 6a_100000703917_100011218096 [0,2,0,0,0,0|1,0,1]=4 1592 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)Cl)O)C#N 6a_100000050827_100011218096 [0,2,0,0,0,0|1,0,1]=4 1593 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)F)C)C#N 6a_100011217087_100011218096 [0,2,0,0,0,0|1,0,1]=4 1594 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)F)F)C#N 6a_100000743029_100011218096 [0,2,0,0,0,0|1,0,1]=4 1595 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)F)O)C#N 6a_100000703664_100011218096 [0,2,0,0,0,0|1,0,1]=4 1596 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)I)Br)C#N 6a_100010185649_100011218096 [0,2,0,0,0,0|1,0,1]=4 1597 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)I)F)C#N 6a_100010185655_100011218096 [0,2,0,0,0,0|1,0,1]=4 1598 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)I)I)C#N 6a_100010185653_100011218096 [0,2,0,0,0,0|1,0,1]=4 1599 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)O)C)C#N 6a_100009853434_100011218096 [0,2,0,0,0,0|1,0,1]=4 1600 B17R1.25611 CCCCCC(=Cc1cc(cc(c1)O)O)C#N 6a_100000043415_100011218096 [0,2,0,0,0,0|1,0,1]=4 1601 B17R1.304 CCCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210314 [0,2,0,0,0,0|0,0,2]=4 1602 B17R1.304 CCCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000718602 [0,2,0,0,0,0|0,0,2]=4 1603 B17R1.304 CCCCCNN=C(CC)Cc1ccccc1 4a_100000694160_100000212045 [0,2,0,0,0,0|1,0,1]=4 1604 B17R1.304 CCCCOCNC(CO)Cc1ccccc1 2230a_100000739027_100011995733 [0,2,0,0,0,0|0,0,2]=4 1605 B17R1.304 CCCOCCNC(CO)Cc1ccccc1 2230a_100000739027_100011215938 [0,2,0,0,0,0|0,0,2]=4 1606 B17R1.304 CCOCCCNC(CO)Cc1ccccc1 2230a_100000739027_100012232248 [0,2,0,0,0,0|0,0,2]=4 1607 B17R1.304 CCOCCNCC(CO)Cc1ccccc1 34a_100160572655_100000210147 [0,2,0,0,0,0|0,0,2]=4 1608 B17R1.304 CCSCCNCC(CO)Cc1ccccc1 34a_100160572655_100000757381 [0,2,0,0,0,0|0,0,2]=4 1609 B17R1.304 COCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000730899 [0,2,0,0,0,0|0,0,2]=4 1610 B17R1.304 COCCCNCC(CO)Cc1ccccc1 34a_100160572655_100000740836 [0,2,0,0,0,0|0,0,2]=4 1611 B17R1.304 OCC(CNCCCCF)Cc1ccccc1 34a_100160572655_100000729493 [0,2,0,0,0,0|0,0,2]=4 1612 B17R1.304 OCC(Cc1ccccc1)NCCCCCF 2230a_100000739027_100000729378 [0,2,0,0,0,0|0,0,2]=4 1613 B17R1.304 OCCCCCNC(CO)Cc1ccccc1 2230a_100000739027_100000746330 [0,2,0,0,0,0|0,0,2]=4 1614 B17R1.304 OCCCCNCC(CO)Cc1ccccc1 34a_100160572655_100011216708 [0,2,0,0,0,0|0,0,2]=4 1615 B17R1.317 CCCCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210326 [0,2,0,0,0,0|0,0,2]=4 1616 B17R1.335 CCCCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000210314 [0,2,0,0,0,0|1,0,1]=4 1617 B17R1.335 CCCCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000210757 [0,2,0,0,0,0|1,0,1]=4 1618 B17R1.335 CCCCCNC(COC)Cc1ccccc1 2230a_100000766165_100000210326 [0,2,0,0,0,0|0,0,2]=4 1619 B17R1.335 CCCCOCN(CCO)Cc1ccccc1 2230a_100000180844_100011995733 [0,2,0,0,0,0|1,0,1]=4 1620 B17R1.335 CCCCOCN(CCO)Cc1ccccc1 269982a_100000180844_100011995733 [0,2,0,0,0,0|1,0,1]=4 1621 B17R1.335 CCCOCCN(CCO)Cc1ccccc1 2230a_100000180844_100011215938 [0,2,0,0,0,0|1,0,1]=4 1622 B17R1.335 CCCOCCN(CCO)Cc1ccccc1 269982a_100000180844_100011215938 [0,2,0,0,0,0|1,0,1]=4 1623 B17R1.335 CCOCCCN(CCO)Cc1ccccc1 2230a_100000180844_100012232248 [0,2,0,0,0,0|1,0,1]=4 1624 B17R1.335 CCOCCCN(CCO)Cc1ccccc1 269982a_100000180844_100012232248 [0,2,0,0,0,0|1,0,1]=4 1625 B17R1.335 COCCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000730899 [0,2,0,0,0,0|1,0,1]=4 1626 B17R1.335 COCCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000730899 [0,2,0,0,0,0|1,0,1]=4 1627 B17R1.335 COCN(CCCCCO)Cc1ccccc1 2230a_100011629535_100000766300 [0,2,0,0,0,0|1,0,1]=4 1628 B17R1.335 COCN(CCCCCO)Cc1ccccc1 269982a_100011629535_100000766300 [0,2,0,0,0,0|1,0,1]=4 1629 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 2230a_100000180844_100000746330 [0,2,0,0,0,0|1,0,1]=4 1630 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 2230a_100011629535_100000211926 [0,2,0,0,0,0|1,0,1]=4 1631 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 269982a_100000180844_100000746330 [0,2,0,0,0,0|1,0,1]=4 1632 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 269982a_100011629535_100000211926 [0,2,0,0,0,0|1,0,1]=4 1633 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 34a_100011629535_100000211926 [0,2,0,0,0,0|1,0,1]=4 1634 B17R1.335 OCCN(CCCCCF)Cc1ccccc1 2230a_100000180844_100000729378 [0,2,0,0,0,0|1,0,1]=4 1635 B17R1.335 OCCN(CCCCCF)Cc1ccccc1 269982a_100000180844_100000729378 [0,2,0,0,0,0|1,0,1]=4 1636 B17R1.1367 CCC(C)CNCC(CO)Cc1ccccc1 270004a_100160572655_100000243153 [0,2,0,0,0,0|0,0,2]=4 1637 B17R1.1367 CCC(C)CNCC(CO)Cc1ccccc1 34a_100160572655_100000748023 [0,2,0,0,0,0|0,0,2]=4 1638 B17R1.1367 CCC(O)CNCC(CO)Cc1ccccc1 34a_100160572655_100011218378 [0,2,0,0,0,0|0,0,2]=4 1639 B17R1.1367 CC[C@H](C)CNCC(CO)Cc1ccccc1 34a_100160572655_100009816398 [0,2,0,0,0,0|0,0,2]=4 1640 B17R1.1652 CCCC(C)CNC(CO)Cc1ccccc1 2230a_100000739027_100011216630 [0,2,0,0,0,0|0,0,2]=4 1641 B17R1.1652 CCCC(C)CNC(CO)Cc1ccccc1 270004a_100000739027_100000243154 [0,2,0,0,0,0|0,0,2]=4 1642 B17R1.1652 CCCC(C)NCC(CO)Cc1ccccc1 270004a_100160572655_100000211909 [0,2,0,0,0,0|0,0,2]=4 1643 B17R1.1652 CCCC(C)NCC(CO)Cc1ccccc1 34a_100160572655_100000766640 [0,2,0,0,0,0|0,0,2]=4 1644 B17R1.2652 CC(C)CCCNC(CO)Cc1ccccc1 2230a_100000739027_100011214892 [0,2,0,0,0,0|0,0,2]=4 1645 B17R1.2652 CC(C)CCNCC(CO)Cc1ccccc1 269862a_100160572655_100000185833 [0,2,0,0,0,0|0,0,2]=4 1646 B17R1.2652 CC(C)CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210312 [0,2,0,0,0,0|0,0,2]=4 1647 B17R1.2652 CC(O)CCCNC(CO)Cc1ccccc1 2230a_100000739027_200000718107 [0,2,0,0,0,0|0,0,2]=4 1648 B17R1.2652 CC(O)CCNCC(CO)Cc1ccccc1 34a_100160572655_100012276601 [0,2,0,0,0,0|0,0,2]=4 1649 B17R1.5235 CCCCCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000210326 [0,2,0,0,0,0|0,0,2]=4 1650 B17R1.5235 CCCCCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000718602 [0,2,0,0,0,0|0,0,2]=4 1651 B17R1.1952 CCCCCN(CCC)C(=O)c1ccccc1 11a_200000226819_100000185807 [0,2,0,0,0,0|2,0,0]=4 1652 B17R1.1952 CCCCCN(CCC)C(=O)c1ccccc1 1626a_200000226819_100000185807 [0,2,0,0,0,0|2,0,0]=4 1653 B17R1.1952 CCCCCN(CCC)C(=O)c1ccccc1 240690a_200000226819_100000185807 [0,2,0,0,0,0|2,0,0]=4 1654 B17R1.1952 CCCCCN(CCC)C(=O)c1ccccc1 527a_200000226819_100000185807 [0,2,0,0,0,0|2,0,0]=4 1655 B17R1.1952 CCCCCN(CCO)C(=O)c1ccccc1 240690a_100000224656_100000185807 [0,2,0,0,0,0|1,0,0]=3 1656 B17R1.1952 CCCCCN(CCO)C(=O)c1ccccc1 527a_100000224656_100000185807 [0,2,0,0,0,0|1,0,0]=3 1657 B17R1.1952 CCCCCN(CCO)C(C)c1ccccc1 2230a_100000224656_100000230085 [0,2,0,0,0,0|1,0,1]=4 1658 B17R1.1952 CCCCCN(CCO)C(C)c1ccccc1 269982a_100000224656_100000230085 [0,2,0,0,0,0|1,0,1]=4 1659 B17R1.1952 CCCCCN(CCO)[C@H](C)c1ccccc1 2230a_100000753783_100000210326 [0,2,0,0,0,0|1,0,1]=4 1660 B17R1.1952 CCCCCN(CCO)[C@H](C)c1ccccc1 269982a_100000753783_100000210215 [0,2,0,0,0,0|1,0,1]=4 1661 B17R1.29060 CCCCCN(C(=O)c1ccccc1)C(C)C 11a_100000223497_100000185807 [0,2,0,0,0,0|2,0,0]=4 1662 B17R1.29060 CCCCCN(C(=O)c1ccccc1)C(C)C 1626a_100000223497_100000185807 [0,2,0,0,0,0|2,0,0]=4 1663 B17R1.29060 CCCCCN(C(=O)c1ccccc1)C(C)C 240690a_100000223497_100000185807 [0,2,0,0,0,0|2,0,0]=4 1664 B17R1.29060 CCCCCN(C(=O)c1ccccc1)C(C)C 527a_100000223497_100000185807 [0,2,0,0,0,0|2,0,0]=4 1665 B17R1.1941 CCCCCN(Cc1ccccc1)[C@H](C)CO 2230a_100000762708_100000210326 [0,2,0,0,0,0|1,0,1]=4 1666 B17R1.1941 CCCCCN(Cc1ccccc1)[C@H](C)CO 269982a_100000762708_100000210215 [0,2,0,0,0,0|1,0,1]=4 1667 B17R1.1943 CCCCCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210326 [0,2,0,0,0,0|1,0,1]=4 1668 B17R1.1943 CCCCCN(Cc1ccccc1)CC(C)O 2230a_100000189065_100000210326 [0,2,0,0,0,0|1,0,1]=4 1669 B17R1.1943 CCCCCN(Cc1ccccc1)CC(C)O 269982a_100000189065_100000210215 [0,2,0,0,0,0|1,0,1]=4 1670 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 2230a_100000224656_100000184730 [0,2,0,0,0,0|1,0,1]=4 1671 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 2230a_106744479749_100000210326 [0,2,0,0,0,0|1,0,1]=4 1672 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 269982a_100000224656_100000184730 [0,2,0,0,0,0|1,0,1]=4 1673 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 269982a_106744479749_100000210215 [0,2,0,0,0,0|1,0,1]=4 1674 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 26a_100000224656_100000181306 [0,2,0,0,0,0|1,0,1]=4 1675 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br 270004a_100000224656_100000211189 [0,2,0,0,0,0|1,0,1]=4 1676 B17R1.3856 CCCCCN(CCO)Cc1ccccc1C 2230a_100000224656_100000211839 [0,2,0,0,0,0|1,0,1]=4 1677 B17R1.3856 CCCCCN(CCO)Cc1ccccc1C 269982a_100000224656_100000211839 [0,2,0,0,0,0|1,0,1]=4 1678 B17R1.3856 CCCCCN(CCO)Cc1ccccc1C 270004a_100000224656_100000211143 [0,2,0,0,0,0|1,0,1]=4 1679 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 2230a_100000224656_100000187162 [0,2,0,0,0,0|1,0,1]=4 1680 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 2230a_100015187164_100000210326 [0,2,0,0,0,0|1,0,1]=4 1681 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 269982a_100000224656_100000187162 [0,2,0,0,0,0|1,0,1]=4 1682 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 269982a_100015187164_100000210215 [0,2,0,0,0,0|1,0,1]=4 1683 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 26a_100000224656_100000210172 [0,2,0,0,0,0|1,0,1]=4 1684 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 270004a_100000224656_100000210073 [0,2,0,0,0,0|1,0,1]=4 1685 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 34a_100015187164_100000718602 [0,2,0,0,0,0|1,0,1]=4 1686 B17R1.3856 CCCCCN(CCO)Cc1ccccc1F 2230a_100000224656_100000211605 [0,2,0,0,0,0|1,0,1]=4 1687 B17R1.3856 CCCCCN(CCO)Cc1ccccc1F 269982a_100000224656_100000211605 [0,2,0,0,0,0|1,0,1]=4 1688 B17R1.3856 CCCCCN(CCO)Cc1ccccc1F 270004a_100000224656_100000210811 [0,2,0,0,0,0|1,0,1]=4 1689 B17R1.3856 CCCCCN(CCO)Cc1ccccc1I 2230a_100000224656_100011215278 [0,2,0,0,0,0|1,0,1]=4 1690 B17R1.3856 CCCCCN(CCO)Cc1ccccc1I 269982a_100000224656_100011215278 [0,2,0,0,0,0|1,0,1]=4 1691 B17R1.3856 CCCCCN(CCO)Cc1ccccc1I 270004a_100000224656_100000010305 [0,2,0,0,0,0|1,0,1]=4 1692 B17R1.19358 CC(C)CCCN(CCO)Cc1ccccc1 2230a_100000180844_100011214892 [0,2,0,0,0,0|1,0,1]=4 1693 B17R1.19358 CC(C)CCCN(CCO)Cc1ccccc1 269982a_100000180844_100011214892 [0,2,0,0,0,0|1,0,1]=4 1694 B17R1.19358 CC(O)CCCN(CCO)Cc1ccccc1 2230a_100000180844_200000718107 [0,2,0,0,0,0|1,0,1]=4 1695 B17R1.19358 CC(O)CCCN(CCO)Cc1ccccc1 269982a_100000180844_200000718107 [0,2,0,0,0,0|1,0,1]=4 1696 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCC 34a_200020681711_100000210202 [0,2,0,0,0,0|0,0,0]=2 1697 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCC 7a_200020681711_100000210202 [0,2,0,0,0,0|0,0,0]=2 1698 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCF 34a_200020681711_100015361967 [0,2,0,0,0,0|0,0,0]=2 1699 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCF 7a_200020681711_100015361967 [0,2,0,0,0,0|0,0,0]=2 1700 B17R1.25044 CCCCCN(CCCO)Cc1ccccc1 2230a_100000185501_100000210326 [0,2,0,0,0,0|1,0,1]=4 1701 B17R1.25044 CCCCCN(CCCO)Cc1ccccc1 269982a_100000185501_100000210215 [0,2,0,0,0,0|1,0,1]=4 1702 B17R1.186197 CCCCCC(=Cc1c(cccc1I)F)C#N 6a_100010178011_100011218096 [0,2,0,0,0,0|1,0,1]=4 1703 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 2230a_100000717927_100015291786 [1,0,0,1,0,0|1,0,1]=4 1704 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 269982a_100000717927_100000211182 [1,0,0,1,0,0|1,0,1]=4 1705 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 270004a_100000717927_100015611070 [1,0,0,1,0,0|1,0,1]=4 1706 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 34a_100000717927_100015291786 [1,0,0,1,0,0|1,0,1]=4 1707 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000186898_100000179811 [1,0,0,1,0,0|1,0,1]=4 1708 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000207505_100015291786 [1,0,0,1,0,0|1,0,1]=4 1709 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000186898_100000179811 [1,0,0,1,0,0|1,0,1]=4 1710 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000207505_100000211182 [1,0,0,1,0,0|1,0,1]=4 1711 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000186898_100000210133 [1,0,0,1,0,0|1,0,1]=4 1712 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000207505_100015611070 [1,0,0,1,0,0|1,0,1]=4 1713 B15R2.64 CN(Cc1ccccc1)C2CCCC2 34a_100000207505_100015291786 [1,0,0,1,0,0|1,0,1]=4 1714 B15R2.64 O=C(Cc1ccccc1)C2CCCC2 1458a_100000210718_100015291786 [1,0,0,1,0,0|0,0,2]=4 1715 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 11a_100000106764_100000210718 [1,0,0,1,0,0|1,0,1]=4 1716 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 1626a_100000106764_100000210718 [1,0,0,1,0,0|1,0,1]=4 1717 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 22a_100000106764_100000210718 [1,0,0,1,0,0|1,0,1]=4 1718 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 527a_100000106764_100000210718 [1,0,0,1,0,0|1,0,1]=4 1719 B15R2.1256 C/C(=C\c1ccccc1)/COC2CC2 34a_200025717232_100000211595 [1,0,0,1,0,0|1,0,0]=3 1720 B15R2.1256 CN(CCC1CC1)Cc2ccccc2 2230a_100000186898_100000694398 [1,0,0,1,0,0|1,0,1]=4 1721 B15R2.1256 CN(CCC1CC1)Cc2ccccc2 269982a_100000186898_100000694398 [1,0,0,1,0,0|1,0,1]=4 1722 B15R2.1256 O=C(CCC1CC1)Cc2ccccc2 1458a_100000756386_100015291786 [1,0,0,1,0,0|0,0,2]=4 1723 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 11a_100000106764_100000756386 [1,0,0,1,0,0|1,0,1]=4 1724 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 1626a_100000106764_100000756386 [1,0,0,1,0,0|1,0,1]=4 1725 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 22a_100000106764_100000756386 [1,0,0,1,0,0|1,0,1]=4 1726 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 527a_100000106764_100000756386 [1,0,0,1,0,0|1,0,1]=4 1727 B15R2.1435 CCCCc1c(oc2c1cccc2)C 271570a_100020621405_200010236113 [1,0,0,1,0,0|1,0,1]=4 1728 B15R2.1435 CCCCc1c(sc2c1cccc2)C 271570a_100020621405_100010002616 [1,0,0,1,0,0|1,0,1]=4 1729 B15R2.1690 CCC1CC1C(=O)Cc2ccccc2 1458a_200011661523_100015291786 [1,0,0,1,0,0|0,0,2]=4 1730 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 11a_100000106764_200011661523 [1,0,0,1,0,0|1,0,1]=4 1731 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 1626a_100000106764_200011661523 [1,0,0,1,0,0|1,0,1]=4 1732 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 22a_100000106764_200011661523 [1,0,0,1,0,0|1,0,1]=4 1733 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 527a_100000106764_200011661523 [1,0,0,1,0,0|1,0,1]=4 1734 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 2230a_100000185865_100015291786 [1,0,0,1,0,0|1,0,1]=4 1735 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 269982a_100000185865_100000211182 [1,0,0,1,0,0|1,0,1]=4 1736 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 270004a_100000185865_100015611070 [1,0,0,1,0,0|1,0,1]=4 1737 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 34a_100000185865_100015291786 [1,0,0,1,0,0|1,0,1]=4 1738 B15R2.2167 c1ccc(cc1)NC2CCCCCC2 34a_100000106764_100011217769 [1,0,0,1,0,0|1,0,1]=4 1739 B15R2.2167 c1ccc(cc1)OC2CCCCCC2 34a_100000210340_100011217769 [1,0,0,1,0,0|1,0,1]=4 1740 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100000719477_100011217769 [1,0,0,1,0,0|1,0,1]=4 1741 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100011217769_100000041952 [1,0,0,1,0,0|1,0,1]=4 1742 B15R2.2203 CCCC=Cc1cc2ccccc2o1 271570a_100016258520_100010159458 [1,0,0,1,0,0|0,0,2]=4 1743 B15R2.2203 CCCCCN1Cc2ccccc2C1 2230a_100000752595_100000210326 [1,0,0,1,0,0|1,0,1]=4 1744 B15R2.2203 CCCCCN1Cc2ccccc2C1 269982a_100000752595_100000210215 [1,0,0,1,0,0|1,0,1]=4 1745 B15R2.2203 CCCCCN1Cc2ccccc2C1 34a_100000752595_100000718602 [1,0,0,1,0,0|1,0,1]=4 1746 B15R2.2203 CCCCSc1cc2ccccc2[nH]1 62a_100000210211_100010232065 [1,0,0,1,0,0|2,0,0]=4 1747 B15R2.2203 CCCCSc1cc2ccccc2o1 62a_100000210211_100010159458 [1,0,0,1,0,0|1,0,0]=3 1748 B15R2.2203 CCCCSc1cc2ccccc2s1 62a_100000210211_100009816949 [1,0,0,1,0,0|1,1,0]=4 1749 B15R2.2203 CCCNCc1cc2ccccc2[nH]1 270004a_100020643023_100000051030 [1,0,0,1,0,0|2,0,0]=4 1750 B15R2.2203 CCCNCc1cc2ccccc2o1 207a_100020643023_100000229944 [1,0,0,1,0,0|1,0,0]=3 1751 B15R2.2203 CCCNCc1cc2ccccc2o1 270004a_100020643023_100000229944 [1,0,0,1,0,0|1,0,0]=3 1752 B15R2.2203 CCCNCc1cc2ccccc2s1 207a_100020643023_100000686906 [1,0,0,1,0,0|1,1,0]=4 1753 B15R2.2203 CCCNCc1cc2ccccc2s1 2230a_100015187092_100000210303 [1,0,0,1,0,0|1,1,0]=4 1754 B15R2.2203 CCCNCc1cc2ccccc2s1 270004a_100020643023_100000686906 [1,0,0,1,0,0|1,1,0]=4 1755 B15R2.2203 CCCNCc1cc2cnccc2o1 207a_100020643023_100009860033 [1,0,0,1,0,0|2,0,0]=4 1756 B15R2.2203 CCCNCc1cc2cnccc2o1 270004a_100020643023_100009860033 [1,0,0,1,0,0|2,0,0]=4 1757 B15R2.2203 CCCNCc1cc2ncccc2o1 207a_100020643023_100000104172 [1,0,0,1,0,0|2,0,0]=4 1758 B15R2.2203 CCCNCc1cc2ncccc2o1 270004a_100020643023_100000104172 [1,0,0,1,0,0|2,0,0]=4 1759 B15R2.2203 CCCOCc1cc2ccccc2o1 34a_100000233474_100000210303 [1,0,0,1,0,0|1,0,0]=3 1760 B15R2.2203 CCCOCc1cc2ccccc2o1 7a_100000233474_100000210303 [1,0,0,1,0,0|1,0,0]=3 1761 B15R2.2203 CCCOCc1nc2ccccc2o1 34a_100000210258_200012361514 [1,0,0,1,0,0|2,0,0]=4 1762 B15R2.2203 CCCSCc1nc2ccccc2o1 62a_100000210303_100000195508 [1,0,0,1,0,0|2,0,0]=4 1763 B15R2.2203 CCOCCc1cc2ccccc2o1 34a_100011996023_100000210202 [1,0,0,1,0,0|1,0,0]=3 1764 B15R2.2203 CCOCCc1cc2ccccc2o1 7a_100011996023_100000210202 [1,0,0,1,0,0|1,0,0]=3 1765 B15R2.2203 CCOCSc1cc2ccccc2o1 62a_100000739092_100010159458 [1,0,0,1,0,0|2,0,0]=4 1766 B15R2.2203 COCCSc1cc2ccccc2o1 62a_100000233755_100010159458 [1,0,0,1,0,0|2,0,0]=4 1767 B15R2.2203 CSCCSc1cc2ccccc2o1 62a_100000212216_100010159458 [1,0,0,1,0,0|2,0,0]=4 1768 B15R2.2203 CSCOCc1cc2ccccc2o1 34a_100000233474_100011218213 [1,0,0,1,0,0|2,0,0]=4 1769 B15R2.2203 FCCCSc1cc2ccccc2o1 62a_100011934791_100010159458 [1,0,0,1,0,0|2,0,0]=4 1770 B15R2.2203 FCCOCc1cc2ccccc2o1 34a_100000233474_100011217306 [1,0,0,1,0,0|2,0,0]=4 1771 B15R2.2203 FCCOCc1cc2ccccc2o1 7a_100000233474_100011217306 [1,0,0,1,0,0|2,0,0]=4 1772 B15R2.2203 FCOCCc1cc2ccccc2o1 34a_100011996023_100015361967 [1,0,0,1,0,0|2,0,0]=4 1773 B15R2.2203 FCOCCc1cc2ccccc2o1 7a_100011996023_100015361967 [1,0,0,1,0,0|2,0,0]=4 1774 B15R2.2203 OCCCSc1cc2ccccc2o1 62a_100011215043_100010159458 [1,0,0,1,0,0|2,0,0]=4 1775 B15R2.2203 OCCNCc1cc2ccccc2o1 207a_100000210304_100000229944 [1,0,0,1,0,0|2,0,0]=4 1776 B15R2.2203 OCCNCc1cc2ccccc2o1 270004a_100000210304_100000229944 [1,0,0,1,0,0|2,0,0]=4 1777 B15R2.2203 OCCOCc1cc2ccccc2o1 34a_100000233474_100000211926 [1,0,0,1,0,0|2,0,0]=4 1778 B15R2.2203 OCCOCc1cc2ccccc2o1 7a_100000233474_100000211926 [1,0,0,1,0,0|2,0,0]=4 1779 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_100000186898_100000763275 [1,0,0,1,0,0|1,0,1]=4 1780 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_106354213860_200000210301 [1,0,0,1,0,0|1,0,1]=4 1781 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_200000750244_100015291786 [1,0,0,1,0,0|1,0,1]=4 1782 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_100000186898_100000763275 [1,0,0,1,0,0|1,0,1]=4 1783 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_106354213860_200000210301 [1,0,0,1,0,0|1,0,1]=4 1784 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_200000750244_100000211182 [1,0,0,1,0,0|1,0,1]=4 1785 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 270004a_200000750244_100015611070 [1,0,0,1,0,0|1,0,1]=4 1786 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_106354213860_200000210301 [1,0,0,1,0,0|1,0,1]=4 1787 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_200000750244_100015291786 [1,0,0,1,0,0|1,0,1]=4 1788 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 11a_100000106764_100000763092 [1,0,0,1,0,0|1,0,1]=4 1789 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 1626a_100000106764_100000763092 [1,0,0,1,0,0|1,0,1]=4 1790 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 22a_100000106764_100000763092 [1,0,0,1,0,0|1,0,1]=4 1791 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 527a_100000106764_100000763092 [1,0,0,1,0,0|1,0,1]=4 1792 B15R2.16446 O=C(Cc1ccccc1)CC2CCC2 1458a_100000763092_100015291786 [1,0,0,1,0,0|0,0,2]=4 1793 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 2230a_106354213860_200025704644 [1,0,0,1,0,0|1,0,1]=4 1794 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 269982a_106354213860_200025704644 [1,0,0,1,0,0|1,0,1]=4 1795 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 34a_106354213860_200025704644 [1,0,0,1,0,0|1,0,1]=4 1796 B15R2.38 OC1CCCCC1Nc2ccccc2 34a_100000106764_100000038908 [1,0,0,1,0,0|1,0,1]=4 1797 B15R2.38 OC1CCCCC1Oc2ccccc2 34a_100000210340_100000038908 [1,0,0,1,0,0|1,0,1]=4 1798 B15R2.38 OC1CCCCC1Sc2ccccc2 62a_100000038908_100000041952 [1,0,0,1,0,0|1,0,1]=4 1799 B15R2.38 OC1CCCCC1Sc2ccccc2 62a_100000719477_100000038908 [1,0,0,1,0,0|1,0,1]=4 1800 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,1,0,0|2,0,0]=4 1801 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,1,0,0|1,0,1]=4 1802 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,0,1,0,0|1,0,1]=4 1803 B15R2.352 CCNCC1=Cc2ccccc2OC1 270004a_100015525214_100000013085 [1,0,0,1,0,0|1,0,0]=3 1804 B15R2.1 CCC1CC=C(CC1)c2ccccc2 271570a_200010144120_100000210277 [0,0,0,1,1,0|1,0,1]=4 1805 B15R2.5 CCCCNC1COc2c1cccc2 2230a_100000747519_100000210211 [0,0,0,1,1,0|1,0,1]=4 1806 B15R2.5 CCCCSc1coc2c1cccc2 62a_100000210211_100009812202 [0,0,0,1,1,0|1,0,1]=4 1807 B15R2.5 CCCCSc1noc2c1cccc2 62a_100000210211_200000703156 [0,0,0,1,1,0|2,0,0]=4 1808 B15R2.5 CCCCSc1noc2c1cccc2 62a_200000703156_100000210210 [0,0,0,1,1,0|2,0,0]=4 1809 B15R2.5 CCCNCc1coc2c1cccc2 207a_100020643023_100000688544 [0,0,0,1,1,0|1,0,1]=4 1810 B15R2.5 CCCNCc1coc2c1cccc2 270004a_100020643023_100000688544 [0,0,0,1,1,0|1,0,1]=4 1811 B15R2.5 CCCNN=C1COc2c1cccc2 4a_100000740057_100000185568 [0,0,0,1,1,0|2,0,0]=4 1812 B15R2.5 CCCOCc1noc2c1cccc2 34a_100000210258_100009813815 [0,0,0,1,1,0|2,0,0]=4 1813 B15R2.5 CCCSCc1noc2c1cccc2 62a_100000210303_100009813815 [0,0,0,1,1,0|2,0,0]=4 1814 B15R2.5 CCCSCc1noc2c1cccc2 62a_100009813815_100000210303 [0,0,0,1,1,0|2,0,0]=4 1815 B15R2.5 CCNCCc1coc2c1cccc2 2230a_100011934666_100000210202 [0,0,0,1,1,0|1,0,1]=4 1816 B15R2.5 CCNCCc1coc2c1cccc2 34a_100011934666_100000210202 [0,0,0,1,1,0|1,0,1]=4 1817 B15R2.66 CNCC1CC(=NO1)c2ccccc2 34a_100102657272_100009817038 [0,0,0,1,1,0|2,0,0]=4 1818 B15R2.66 CNCC1CC(=NO1)c2ccccc2 7a_106832991635_100009817038 [0,0,0,1,1,0|2,0,0]=4 1819 B15R2.66 COCC1CC(=NO1)c2ccccc2 34a_100138415774_100009817038 [0,0,0,1,1,0|2,0,0]=4 1820 B15R2.66 CSCC1CC(=NO1)c2ccccc2 62a_100009817038_200000210301 [0,0,0,1,1,0|2,0,0]=4 1821 B15R2.66 CSCC1CC(=NO1)c2ccccc2 62a_200000210301_100009817038 [0,0,0,1,1,0|2,0,0]=4 1822 B15R2.66 [13CH3]SCC1CC(=NO1)c2ccccc2 62a_100009817038_200025704644 [0,0,0,1,1,0|2,0,0]=4 1823 B15R2.66 [13CH3]SCC1CC(=NO1)c2ccccc2 62a_200025704644_100009817038 [0,0,0,1,1,0|2,0,0]=4 1824 B15R2.131 CCN(c1ccccc1)C2CCCC2 2230a_100000210013_100000179811 [0,0,0,1,1,0|2,0,0]=4 1825 B15R2.131 CCN(c1ccccc1)C2CCCC2 269982a_100000210013_100000179811 [0,0,0,1,1,0|2,0,0]=4 1826 B15R2.131 CCN(c1ccccc1)C2CCCC2 34a_100000210013_100000179811 [0,0,0,1,1,0|2,0,0]=4 1827 B15R2.1327 CCN(CCC1CC1)c2ccccc2 2230a_100000210013_100000694398 [0,0,0,1,1,0|2,0,0]=4 1828 B15R2.1327 CCN(CCC1CC1)c2ccccc2 269982a_100000210013_100000694398 [0,0,0,1,1,0|2,0,0]=4 1829 B15R2.1327 CCN(CCC1CC1)c2ccccc2 34a_100000210013_100000694398 [0,0,0,1,1,0|2,0,0]=4 1830 B15R2.1327 OCC(=NNC1CC1)c2ccccc2 4a_100000701032_100000748912 [0,0,0,1,1,0|2,0,0]=4 1831 B15R2.1327 OC[C@@H](NCC1CC1)c2ccccc2 2230a_100000751927_100000742324 [0,0,0,1,1,0|1,0,1]=4 1832 B15R2.1327 OC[C@@H](NCC1CC1)c2ccccc2 269862a_100000751927_100000741477 [0,0,0,1,1,0|1,0,1]=4 1833 B15R2.1327 OC[C@@H](NCC1CC1)c2ccccc2 34a_100000751927_100000742324 [0,0,0,1,1,0|1,0,1]=4 1834 B15R2.1331 CCN(CC1CCC1)c2ccccc2 2230a_100000210013_100000763275 [0,0,0,1,1,0|2,0,0]=4 1835 B15R2.1331 CCN(CC1CCC1)c2ccccc2 269982a_100000210013_100000763275 [0,0,0,1,1,0|2,0,0]=4 1836 B15R2.1331 CCN(CC1CCC1)c2ccccc2 34a_100000210013_100000763275 [0,0,0,1,1,0|2,0,0]=4 1837 B15R2.1331 OC[C@@H](NC1CCC1)c2ccccc2 270004a_100000751927_100000241760 [0,0,0,1,1,0|1,0,1]=4 1838 B15R2.1331 OC[C@@H](NC1CCC1)c2ccccc2 34a_100000751927_100000749161 [0,0,0,1,1,0|1,0,1]=4 1839 B17R2.48 CCC1CCC(=NNc2ccccc2)CC1 4a_100015195140_100000210631 [0,0,0,1,0,1|2,0,0]=4 1840 B17R2.268 CCCCCc1nc(no1)c2ccccc2 270196a_100000210280_100000212188 [0,0,0,1,0,1|2,0,0]=4 1841 B17R2.268 CCCCCc1noc(n1)c2ccccc2 270196a_200011207956_100000185807 [0,0,0,1,0,1|1,0,0]=3 1842 B17R2.268 CCCCNc1noc(n1)c2ccccc2 27a_100000102301_200000701163 [0,0,0,1,0,1|2,0,0]=4 1843 B17R2.268 CCCCSc1cc(on1)c2ccccc2 62a_100000210211_200010138274 [0,0,0,1,0,1|2,0,0]=4 1844 B17R2.268 CCCCSc1cc(on1)c2ccccc2 62a_200010138274_100000210210 [0,0,0,1,0,1|2,0,0]=4 1845 B17R2.268 CCCCSc1coc(n1)c2ccccc2 62a_100000210211_100010163736 [0,0,0,1,0,1|1,0,1]=4 1846 B17R2.268 CCCCSc1coc(n1)c2ccccc2 62a_100010163736_100000210210 [0,0,0,1,0,1|1,0,1]=4 1847 B17R2.268 CCCCSc1noc(n1)c2ccccc2 270196a_100000209972_100000185807 [0,0,0,1,0,1|2,0,0]=4 1848 B17R2.268 CCCCSc1noc(n1)c2ccccc2 62a_100000210211_200000701163 [0,0,0,1,0,1|2,0,0]=4 1849 B17R2.268 CCCCSc1noc(n1)c2ccccc2 62a_200000701163_100000210210 [0,0,0,1,0,1|2,0,0]=4 1850 B17R2.268 CCCNCc1cc(on1)c2ccccc2 207a_100020643023_100000051082 [0,0,0,1,0,1|2,0,0]=4 1851 B17R2.268 CCCNCc1cc(on1)c2ccccc2 270004a_100020643023_100000051082 [0,0,0,1,0,1|2,0,0]=4 1852 B17R2.268 CCCNCc1coc(n1)c2ccccc2 207a_100020643023_100000051037 [0,0,0,1,0,1|1,0,1]=4 1853 B17R2.268 CCCNCc1coc(n1)c2ccccc2 270004a_100020643023_100000051037 [0,0,0,1,0,1|1,0,1]=4 1854 B17R2.268 CCCOCc1cc(on1)c2ccccc2 34a_100000210258_100000205136 [0,0,0,1,0,1|2,0,0]=4 1855 B17R2.268 CCCOCc1coc(n1)c2ccccc2 34a_100000210258_100000181476 [0,0,0,1,0,1|1,0,1]=4 1856 B17R2.268 CCCOCc1noc(n1)c2ccccc2 270196a_100000745010_100000185807 [0,0,0,1,0,1|2,0,0]=4 1857 B17R2.268 CCCSCc1cc(on1)c2ccccc2 62a_100000205136_100000210303 [0,0,0,1,0,1|2,0,0]=4 1858 B17R2.268 CCCSCc1cc(on1)c2ccccc2 62a_100000210303_100000205136 [0,0,0,1,0,1|2,0,0]=4 1859 B17R2.268 CCCSCc1coc(n1)c2ccccc2 62a_100000181476_100000210303 [0,0,0,1,0,1|1,0,1]=4 1860 B17R2.268 CCCSCc1coc(n1)c2ccccc2 62a_100000210303_100000181476 [0,0,0,1,0,1|1,0,1]=4 1861 B17R2.268 CCCSCc1noc(n1)c2ccccc2 62a_100000210303_100000231058 [0,0,0,1,0,1|2,0,0]=4 1862 B17R2.268 CCCSCc1noc(n1)c2ccccc2 62a_100000231058_100000210303 [0,0,0,1,0,1|2,0,0]=4 1863 B17R2.268 COCCCc1noc(n1)c2ccccc2 270196a_100000741014_100000185807 [0,0,0,1,0,1|2,0,0]=4 1864 B17R2.268 CSCCCc1noc(n1)c2ccccc2 270196a_200011362078_100000185807 [0,0,0,1,0,1|2,0,0]=4 1865 B17R2.2708 CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000210210 [0,0,0,1,0,1|1,0,1]=4 1866 B17R2.2708 CCCCSc1ccc2ccccc2c1O 62a_100000210211_100009996032 [0,0,0,1,0,1|1,0,1]=4 1867 B17R2.3188 CCC(=NNc1ccccc1)C2CCCC2 4a_100015195140_100011350732 [0,0,0,1,0,1|2,0,0]=4 1868 B17R2.4579 CCCC1CCC(=NNc2ccccc2)C1 4a_100015195140_200012087856 [0,0,0,1,0,1|2,0,0]=4 1869 B17R2.7393 c1ccc(cc1)NN=C2CCCCCCC2 4a_100015195140_100000210524 [0,0,0,1,0,1|2,0,0]=4 1870 B17R2.81765 OCC1(CCCCC1)NCc2ccccc2 207a_100000740034_100015611070 [0,0,0,1,0,1|0,0,2]=4 1871 B17R2.81765 OCC1(CCCCC1)NCc2ccccc2 2230a_100000740034_100015291786 [0,0,0,1,0,1|0,0,2]=4 1872 B17R2.81765 OCC1(CCCCC1)NCc2ccccc2 270004a_100000740034_100015611070 [0,0,0,1,0,1|0,0,2]=4 1873 B17R2.81765 OCC1(CCCCC1)NCc2ccccc2 34a_100000740034_100015291786 [0,0,0,1,0,1|0,0,2]=4 1874 B17R2.190 CCCCc1nc2ccccc2cc1CC 271570a_100020621405_100011829826 [0,1,0,1,0,0|1,0,1]=4 1875 B17R2.190 CCCCc1nc2ccccc2cc1CO 271570a_100020621405_100000754719 [0,1,0,1,0,0|0,0,1]=3 1876 B17R2.190 CCCSc1nc2ccccc2cc1CO 62a_100000210303_100000754719 [0,1,0,1,0,0|1,0,1]=4 1877 B17R2.2104 CCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210211 [0,1,0,1,0,0|0,0,1]=3 1878 B17R2.2104 CCCNC(=O)C1=Cc2ccccc2OC1 11a_100020643023_100000018039 [0,1,0,1,0,0|1,0,1]=4 1879 B17R2.2104 CCCNC(=O)C1=Cc2ccccc2OC1 1626a_100020643023_100000018039 [0,1,0,1,0,0|1,0,1]=4 1880 B17R2.2104 CCCNC(=O)C1=Cc2ccccc2OC1 240690a_100020643023_100000018039 [0,1,0,1,0,0|1,0,1]=4 1881 B17R2.2104 CCCNC(=O)C1=Cc2ccccc2OC1 527a_100020643023_100000018039 [0,1,0,1,0,0|1,0,1]=4 1882 B17R2.2104 COCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000233755 [0,1,0,1,0,0|1,0,1]=4 1883 B17R2.2104 CSCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000751147 [0,1,0,1,0,0|1,0,1]=4 1884 B17R2.2104 O=C(CCCF)C1=Cc2ccccc2OC1 1458a_100000018039_100011934791 [0,1,0,1,0,0|1,0,1]=4 1885 B17R2.2104 O=C(CCCO)C1=Cc2ccccc2OC1 1458a_100000018039_100011215043 [0,1,0,1,0,0|1,0,1]=4 1886 B17R2.2159 CCCN(C)CC1=Cc2ccccc2OC1 270004a_100000747261_100000013085 [0,1,0,1,0,0|1,0,0]=3 1887 B17R2.2159 CN(CCO)CC1=Cc2ccccc2OC1 270004a_100000210263_100000013085 [0,1,0,1,0,0|2,0,0]=4 1888 B17R2.6053 OCC(Cc1ccccc1)NC2CCCC2 2230a_100000739027_100000179811 [0,1,0,1,0,0|0,0,2]=4 1889 B17R2.6053 OCC(Cc1ccccc1)NC2CCCC2 270004a_100000739027_100000210133 [0,1,0,1,0,0|0,0,2]=4 1890 B17R2.6041 N#CC(=Cc1ccc(cc1)Br)C2CCCC2 6a_100000186029_100011459498 [0,1,0,1,0,0|1,0,1]=4 1891 B17R2.6041 N#CC(=Cc1ccc(cc1)F)C2CCCC2 6a_100000210084_100011459498 [0,1,0,1,0,0|1,0,1]=4 1892 B17R2.6041 N#CC(=Cc1ccc(cc1)I)C2CCCC2 6a_100000188517_100011459498 [0,1,0,1,0,0|1,0,1]=4 1893 B17R2.47 CCN1CCC(=Cc2cccc(c2)F)CC1 2230a_100000741267_100000210202 [0,1,0,1,0,0|2,0,0]=4 1894 B17R2.47 CCN1CCC(=Cc2cccc(c2)F)CC1 269982a_100000741267_100000204670 [0,1,0,1,0,0|2,0,0]=4 1895 B17R2.47 CCN1CCC(=Cc2cccc(c2)F)CC1 34a_100000741267_100000210202 [0,1,0,1,0,0|2,0,0]=4 1896 B17R2.2015 CCCNCC1=Cc2cc(ccc2OC1)Br 270004a_100020643023_100000739462 [0,1,0,1,0,0|1,0,0]=3 1897 B17R2.2015 CCCNCC1=Cc2cc(ccc2OC1)Cl 270004a_100020643023_100000024079 [0,1,0,1,0,0|1,0,0]=3 1898 B17R2.2015 OCCNCC1=Cc2cc(ccc2OC1)Br 270004a_100000210304_100000739462 [0,1,0,1,0,0|2,0,0]=4 1899 B17R2.2015 OCCNCC1=Cc2cc(ccc2OC1)Cl 270004a_100000210304_100000024079 [0,1,0,1,0,0|2,0,0]=4 1900 B17R2.6045 N#CC(=Cc1cccc(c1)Br)C2CCCC2 6a_100000210085_100011459498 [0,1,0,1,0,0|1,0,1]=4 1901 B17R2.6045 N#CC(=Cc1cccc(c1)F)C2CCCC2 6a_100000210812_100011459498 [0,1,0,1,0,0|1,0,1]=4 1902 B17R2.6045 N#CC(=Cc1cccc(c1)I)C2CCCC2 6a_100000014684_100011459498 [0,1,0,1,0,0|1,0,1]=4 1903 B17R2.2277 OCC(CNC1CCC1)Cc2ccccc2 270004a_100160572655_100000241760 [0,1,0,1,0,0|0,0,2]=4 1904 B17R2.2277 OCC(CNC1CCC1)Cc2ccccc2 34a_100160572655_100000749161 [0,1,0,1,0,0|0,0,2]=4 1905 B17R2.2277 OCC(Cc1ccccc1)NCC2CCC2 2230a_100000739027_100000763275 [0,1,0,1,0,0|0,0,2]=4 1906 B17R2.2277 OCC(Cc1ccccc1)NCC2CCC2 269862a_100000739027_100000753134 [0,1,0,1,0,0|0,0,2]=4 1907 B17R2.3299 CCCCCNC1Cc2ccccc2C1O 2230a_100000209983_100000211646 [0,1,0,1,0,0|0,0,2]=4 1908 B17R2.3299 CCCCCOC1Cc2ccccc2C1O 34a_100000210253_100000211646 [0,1,0,1,0,0|0,0,2]=4 1909 B17R2.3299 CCCCCOc1cc2ccccc2n1C 34a_100000066695_100000718602 [0,1,0,1,0,0|2,0,0]=4 1910 B17R2.3299 CCCCCSC1Cc2ccccc2C1O 62a_100000210326_100000211646 [0,1,0,1,0,0|0,0,2]=4 1911 B17R2.3299 CCCCCSC1Cc2ccccc2C1O 62a_100000211646_100000210326 [0,1,0,1,0,0|0,0,2]=4 1912 B17R2.3299 CCCCNCc1cc2ccccc2n1C 270004a_100000102301_100000033373 [0,1,0,1,0,0|2,0,0]=4 1913 B17R2.3299 CCCCOCc1cc2ccccc2n1C 34a_100000081300_100000210210 [0,1,0,1,0,0|2,0,0]=4 1914 B17R2.5879 C=CCCNCC1=Cc2ccccc2OC1 270004a_100015191253_100000013085 [0,1,0,1,0,0|0,0,2]=4 1915 B17R2.5879 CCCCCNC1COc2ccccc2C1 2230a_100000739546_100000210326 [0,1,0,1,0,0|0,0,2]=4 1916 B17R2.5879 CCCCCNC1COc2ccccc2C1 270004a_100000209983_100000048293 [0,1,0,1,0,0|0,0,2]=4 1917 B17R2.5879 CCCCCNc1ccc2ccccc2c1 34a_100000211940_100000718602 [0,1,0,1,0,0|1,0,1]=4 1918 B17R2.5879 CCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210326 [0,1,0,1,0,0|1,0,1]=4 1919 B17R2.5879 CCCCCOc1ccc2ccccc2c1 34a_100000185828_100000718602 [0,1,0,1,0,0|1,0,1]=4 1920 B17R2.5879 CCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210326 [0,1,0,1,0,0|1,0,1]=4 1921 B17R2.5879 CCCCCOc1cnc2ccccc2c1 34a_100011934006_100000718602 [0,1,0,1,0,0|1,0,1]=4 1922 B17R2.5879 CCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210326 [0,1,0,1,0,0|1,0,1]=4 1923 B17R2.5879 CCCCCSc1cc2ccccc2cn1 62a_100000210326_100000047361 [0,1,0,1,0,0|2,0,0]=4 1924 B17R2.5879 CCCCCSc1cc2ccccc2cn1 62a_100009816522_100000210326 [0,1,0,1,0,0|2,0,0]=4 1925 B17R2.5879 CCCCCSc1ccc2ccccc2c1 62a_100000210326_100000233703 [0,1,0,1,0,0|1,0,1]=4 1926 B17R2.5879 CCCCCSc1cnc2ccccc2c1 62a_100000210326_100000737414 [0,1,0,1,0,0|1,0,1]=4 1927 B17R2.5879 CCCCNCC1=Cc2ccccc2OC1 270004a_100000102301_100000013085 [0,1,0,1,0,0|0,0,0]=2 1928 B17R2.5879 CCCCNCC1COc2ccccc2C1 2230a_100000703909_100000210211 [0,1,0,1,0,0|0,0,2]=4 1929 B17R2.5879 CCCCNCC1COc2ccccc2C1 34a_100000703909_100000210210 [0,1,0,1,0,0|0,0,2]=4 1930 B17R2.5879 CCCCNCC1COc2ccccc2O1 2230a_100000102301_100011215957 [0,1,0,1,0,0|1,0,1]=4 1931 B17R2.5879 CCCCNCC1COc2ccccc2O1 2230a_100000682559_100000210211 [0,1,0,1,0,0|1,0,1]=4 1932 B17R2.5879 CCCCNCC1COc2ccccc2O1 34a_100000682559_100000210210 [0,1,0,1,0,0|1,0,1]=4 1933 B17R2.5879 CCCCNCC1COc2ccccc2O1 7a_106832991798_100011215957 [0,1,0,1,0,0|1,0,1]=4 1934 B17R2.5879 CCCCNCc1cc2ccccc2cn1 207a_100000102301_100000059776 [0,1,0,1,0,0|2,0,0]=4 1935 B17R2.5879 CCCCNCc1cc2ccccc2cn1 2230a_100000102301_100009869231 [0,1,0,1,0,0|2,0,0]=4 1936 B17R2.5879 CCCCNCc1cc2ccccc2cn1 270004a_100000102301_100000059776 [0,1,0,1,0,0|2,0,0]=4 1937 B17R2.5879 CCCCNCc1cc2ccccc2cn1 7a_106832991798_100009869231 [0,1,0,1,0,0|2,0,0]=4 1938 B17R2.5879 CCCCNCc1ccc2ccccc2c1 207a_100000102301_100000211584 [0,1,0,1,0,0|1,0,1]=4 1939 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000102301_100011216711 [0,1,0,1,0,0|1,0,1]=4 1940 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210211 [0,1,0,1,0,0|1,0,1]=4 1941 B17R2.5879 CCCCNCc1ccc2ccccc2c1 270004a_100000102301_100000211584 [0,1,0,1,0,0|1,0,1]=4 1942 B17R2.5879 CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000210210 [0,1,0,1,0,0|1,0,1]=4 1943 B17R2.5879 CCCCNCc1ccc2ccccc2c1 7a_106832991798_100011216711 [0,1,0,1,0,0|1,0,1]=4 1944 B17R2.5879 CCCCNCc1cnc2ccccc2c1 207a_100000102301_100000750898 [0,1,0,1,0,0|1,0,1]=4 1945 B17R2.5879 CCCCNCc1cnc2ccccc2c1 270004a_100000102301_100000750898 [0,1,0,1,0,0|1,0,1]=4 1946 B17R2.5879 CCCCNCc1cnc2ccccc2c1 34a_100000742225_100000210210 [0,1,0,1,0,0|1,0,1]=4 1947 B17R2.5879 CCCCNN=C1COc2ccccc2C1 4a_100025702795_100000048293 [0,1,0,1,0,0|1,0,1]=4 1948 B17R2.5879 CCCCOCC1COc2ccccc2C1 34a_100011273996_100000210210 [0,1,0,1,0,0|0,0,2]=4 1949 B17R2.5879 CCCCOCC1COc2ccccc2O1 34a_100000184353_100000210210 [0,1,0,1,0,0|1,0,1]=4 1950 B17R2.5879 CCCCOCC1COc2ccccc2O1 34a_100000210227_100011215957 [0,1,0,1,0,0|1,0,1]=4 1951 B17R2.5879 CCCCOCC1COc2ccccc2O1 7a_100000210227_100011215957 [0,1,0,1,0,0|1,0,1]=4 1952 B17R2.5879 CCCCOCc1cc2ccccc2cn1 34a_100000210227_100009869231 [0,1,0,1,0,0|2,0,0]=4 1953 B17R2.5879 CCCCOCc1cc2ccccc2cn1 7a_100000210227_100009869231 [0,1,0,1,0,0|2,0,0]=4 1954 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100000210227_100011216711 [0,1,0,1,0,0|1,0,1]=4 1955 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000210210 [0,1,0,1,0,0|1,0,1]=4 1956 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100000210227_100011216711 [0,1,0,1,0,0|1,0,1]=4 1957 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210211 [0,1,0,1,0,0|1,0,1]=4 1958 B17R2.5879 CCCCOCc1cnc2ccccc2c1 34a_100011258773_100000210210 [0,1,0,1,0,0|1,0,1]=4 1959 B17R2.5879 CCCCSCC1COc2ccccc2O1 62a_100000210211_100011215957 [0,1,0,1,0,0|1,0,1]=4 1960 B17R2.5879 CCCCSCC1COc2ccccc2O1 62a_100011215957_100000210210 [0,1,0,1,0,0|1,0,1]=4 1961 B17R2.5879 CCCCSCc1cc2ccccc2cn1 62a_100000210211_100009869231 [0,1,0,1,0,0|2,0,0]=4 1962 B17R2.5879 CCCCSCc1cc2ccccc2cn1 62a_100009869231_100000210210 [0,1,0,1,0,0|2,0,0]=4 1963 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100000210211_100011216711 [0,1,0,1,0,0|1,0,1]=4 1964 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100011216711_100000210210 [0,1,0,1,0,0|1,0,1]=4 1965 B17R2.5879 CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210303 [0,1,0,1,0,0|1,0,1]=4 1966 B17R2.5879 CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210303 [0,1,0,1,0,0|1,0,1]=4 1967 B17R2.5879 CCCNN=CC1=Cc2ccccc2OC1 4a_100000740057_100000013085 [0,1,0,1,0,0|1,0,1]=4 1968 B17R2.5879 CCCOCCC1COc2ccccc2O1 34a_200000066832_100000210303 [0,1,0,1,0,0|1,0,1]=4 1969 B17R2.5879 CCCOCCC1COc2ccccc2O1 7a_200000066832_100000210303 [0,1,0,1,0,0|1,0,1]=4 1970 B17R2.5879 CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210303 [0,1,0,1,0,0|1,0,1]=4 1971 B17R2.5879 CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210303 [0,1,0,1,0,0|1,0,1]=4 1972 B17R2.5879 COCCNCC1=Cc2ccccc2OC1 270004a_100000209980_100000013085 [0,1,0,1,0,0|1,0,0]=3 1973 B17R2.5879 CSCCNCC1=Cc2ccccc2OC1 270004a_100020590264_100000013085 [0,1,0,1,0,0|1,0,0]=3 1974 B17R2.5879 FCCCNCC1=Cc2ccccc2OC1 270004a_100015189416_100000013085 [0,1,0,1,0,0|1,0,0]=3 1975 B17R2.5879 N#CCCNCC1=Cc2ccccc2OC1 270004a_100000720768_100000013085 [0,1,0,1,0,0|1,0,1]=4 1976 B17R2.5879 OCCCNCC1=Cc2ccccc2OC1 270004a_100000182051_100000013085 [0,1,0,1,0,0|1,0,0]=3 1977 B17R2.10212 OCC(CNCC1CC1)Cc2ccccc2 269862a_100160572655_100000741477 [0,1,0,1,0,0|0,0,2]=4 1978 B17R2.10212 OCC(CNCC1CC1)Cc2ccccc2 34a_100160572655_100000742324 [0,1,0,1,0,0|0,0,2]=4 1979 B17R2.10212 OCC(Cc1ccccc1)NCCC2CC2 2230a_100000739027_100000694398 [0,1,0,1,0,0|0,0,2]=4 1980 B17R2.68 CCC1CCN(CC1)C(=O)c2ccccc2 11a_100000754474_100000185807 [0,1,0,1,0,0|2,0,0]=4 1981 B17R2.68 CCC1CCN(CC1)C(=O)c2ccccc2 1626a_100000754474_100000185807 [0,1,0,1,0,0|2,0,0]=4 1982 B17R2.68 CCC1CCN(CC1)C(=O)c2ccccc2 240690a_100000754474_100000185807 [0,1,0,1,0,0|2,0,0]=4 1983 B17R2.68 CCC1CCN(CC1)C(=O)c2ccccc2 527a_100000754474_100000185807 [0,1,0,1,0,0|2,0,0]=4 1984 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 11a_100000211400_100000185807 [0,1,0,1,0,0|2,0,0]=4 1985 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 1626a_100000211400_100000185807 [0,1,0,1,0,0|2,0,0]=4 1986 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 240690a_100000211400_100000185807 [0,1,0,1,0,0|2,0,0]=4 1987 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 527a_100000211400_100000185807 [0,1,0,1,0,0|2,0,0]=4 1988 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 11a_100025706717_100000185807 [0,1,0,1,0,0|2,0,0]=4 1989 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 1626a_100025706717_100000185807 [0,1,0,1,0,0|2,0,0]=4 1990 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 240690a_100025706717_100000185807 [0,1,0,1,0,0|2,0,0]=4 1991 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 527a_100025706717_100000185807 [0,1,0,1,0,0|2,0,0]=4 1992 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 2230a_100000180844_100000179811 [0,1,0,1,0,0|1,0,1]=4 1993 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 269982a_100000180844_100000179811 [0,1,0,1,0,0|1,0,1]=4 1994 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 269982a_200000200444_100000211182 [0,1,0,1,0,0|1,0,1]=4 1995 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 270004a_100000180844_100000210133 [0,1,0,1,0,0|1,0,1]=4 1996 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 270004a_200000200444_100015611070 [0,1,0,1,0,0|1,0,1]=4 1997 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 34a_200000200444_100015291786 [0,1,0,1,0,0|1,0,1]=4 1998 B17R2.2024 CCCCCN1CCOc2ccccc2C1 2230a_100000744108_100000210326 [0,1,0,1,0,0|1,0,1]=4 1999 B17R2.2024 CCCCCN1CCOc2ccccc2C1 269982a_100000744108_100000210215 [0,1,0,1,0,0|1,0,1]=4 2000 B17R2.2024 CCCCCN1CCOc2ccccc2C1 34a_100000744108_100000718602 [0,1,0,1,0,0|1,0,1]=4 2001 B17R2.2182 OCCN(CCC1CC1)Cc2ccccc2 2230a_100000180844_100000694398 [0,1,0,1,0,0|1,0,1]=4 2002 B17R2.2182 OCCN(CCC1CC1)Cc2ccccc2 269982a_100000180844_100000694398 [0,1,0,1,0,0|1,0,1]=4 2003 B17R2.6435 CCCCn1c(nc2c1cccc2)COC 7a_100000009611_200000210301 [0,1,0,1,0,0|2,0,0]=4 2004 B17R2.6435 CCCCn1c(nc2c1cccc2)CO[13CH3] 7a_100000009611_200025704644 [0,1,0,1,0,0|2,0,0]=4 2005 B17R2.12072 CCCCSc1cc(c2ccccc2c1)O 62a_100000210211_100010089979 [0,1,0,1,0,0|1,0,1]=4 2006 B17R2.12117 CCCNCc1cc2ccccc2n1CC 270004a_100020643023_100009845677 [0,1,0,1,0,0|2,0,0]=4 2007 B17R2.75314 COCN(Cc1ccccc1)CC2CCC2 2230a_106354213860_100000766300 [0,1,0,1,0,0|1,0,1]=4 2008 B17R2.75314 COCN(Cc1ccccc1)CC2CCC2 269982a_106354213860_100000766300 [0,1,0,1,0,0|1,0,1]=4 2009 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 2230a_100000180844_100000763275 [0,1,0,1,0,0|1,0,1]=4 2010 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 2230a_106354213860_100000211926 [0,1,0,1,0,0|1,0,1]=4 2011 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 269982a_100000180844_100000763275 [0,1,0,1,0,0|1,0,1]=4 2012 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 269982a_106354213860_100000211926 [0,1,0,1,0,0|1,0,1]=4 2013 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 34a_106354213860_100000211926 [0,1,0,1,0,0|1,0,1]=4 2014 B17R2.12116 CC1Oc2ccccc2C=C1CNCCO 270004a_100000210304_100000013605 [0,1,0,1,0,0|2,0,0]=4 2015 B17R2.12116 CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210211 [0,1,0,1,0,0|1,0,1]=4 2016 B17R2.12116 CCCCSc1cc2ccccc2cc1O 62a_100000210211_100009817189 [0,1,0,1,0,0|1,0,1]=4 2017 B17R2.12116 CCCCSc1cc2ccccc2nc1O 62a_100000210211_200009820883 [0,1,0,1,0,0|1,0,1]=4 2018 B17R2.12116 CCCCSc1cc2ccccc2oc1=O 62a_100000210211_200000187772 [0,1,0,1,0,0|1,0,1]=4 2019 B17R2.12116 CCCNCC1=Cc2ccccc2OC1C 270004a_100020643023_100000013605 [0,1,0,1,0,0|1,0,0]=3 2020 B17R2.12116 CCCNCc1cc2ccccc2nc1O 207a_100020643023_100000184424 [0,1,0,1,0,0|1,0,1]=4 2021 B17R2.12116 CCCNCc1cc2ccccc2nc1O 270004a_100020643023_100000184424 [0,1,0,1,0,0|1,0,1]=4 2022 B17R2.5669 CC(C)CNCC1=Cc2ccccc2OC1 270004a_100000210953_100000013085 [0,1,0,1,0,0|1,0,0]=3 2023 B17R2.5669 CC(O)CNCC1=Cc2ccccc2OC1 270004a_100000210904_100000013085 [0,1,0,1,0,0|1,0,0]=3 2024 B17R2.5669 FC(F)CNCC1=Cc2ccccc2OC1 270004a_100000765723_100000013085 [0,1,0,1,0,0|2,0,0]=4 2025 B17R2.556 CCC(C)NCC1=Cc2ccccc2OC1 270004a_100000209981_100000013085 [0,1,0,1,0,0|1,0,0]=3 2026 B17R2.556 C[C@H](CF)NCC1=Cc2ccccc2OC1 270004a_100102880703_100000013085 [0,1,0,1,0,0|2,0,0]=4 2027 B17R2.556 C[C@H](CO)NCC1=Cc2ccccc2OC1 270004a_100000737577_100000013085 [0,1,0,1,0,0|2,0,0]=4 2028 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [1,0,0,0,1,0|0,0,1]=3 2029 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [1,0,0,0,1,0|1,0,0]=3 2030 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [1,0,0,0,1,0|1,0,0]=3 2031 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [1,0,0,0,1,0|1,0,0]=3 2032 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [1,0,0,0,1,0|1,0,0]=3 2033 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [1,0,0,0,1,0|1,0,0]=3 2034 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [1,0,0,0,1,0|1,0,0]=3 2035 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [1,0,0,0,1,0|1,0,0]=3 2036 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [1,0,0,0,1,0|1,0,0]=3 2037 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [1,0,0,0,1,0|1,0,0]=3 2038 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [1,0,0,0,1,0|1,0,0]=3 2039 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [1,0,0,0,1,0|1,0,0]=3 2040 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [1,0,0,0,1,0|1,0,1]=4 2041 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [1,0,0,0,1,0|1,0,1]=4 2042 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [1,0,0,0,1,0|1,0,1]=4 2043 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [1,0,0,0,1,0|1,0,1]=4 2044 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [1,0,0,0,1,0|1,0,1]=4 2045 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [1,0,0,0,1,0|1,0,1]=4 2046 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [1,0,0,0,1,0|1,0,1]=4 2047 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [1,0,0,0,1,0|1,0,1]=4 2048 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [1,0,0,0,1,0|1,0,1]=4 2049 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [1,0,0,0,1,0|1,0,1]=4 2050 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [1,0,0,0,1,0|1,0,1]=4 2051 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [1,0,0,0,1,0|1,0,1]=4 2052 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [1,0,0,0,1,0|1,0,1]=4 2053 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [1,0,0,0,1,0|1,0,1]=4 2054 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [1,0,0,0,1,0|1,0,1]=4 2055 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [1,0,0,0,1,0|1,0,1]=4 2056 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [1,0,0,0,1,0|1,0,1]=4 2057 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [1,0,0,0,1,0|1,0,1]=4 2058 B13R1.24 CCCNN=C(C)c1ccccc1 4a_100000740057_100000185851 [1,0,0,0,1,0|2,0,0]=4 2059 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [1,0,0,0,1,0|1,0,1]=4 2060 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [1,0,0,0,1,0|1,0,1]=4 2061 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [1,0,0,0,1,0|1,0,1]=4 2062 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [1,0,0,0,1,0|1,0,1]=4 2063 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [1,0,0,0,1,0|1,0,1]=4 2064 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [1,0,0,0,1,0|1,0,1]=4 2065 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [1,0,0,0,1,0|1,0,1]=4 2066 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [1,0,0,0,1,0|1,0,1]=4 2067 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [1,0,0,0,1,0|1,0,1]=4 2068 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [1,0,0,0,1,0|1,0,1]=4 2069 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [1,0,0,0,1,0|1,0,1]=4 2070 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [1,0,0,0,1,0|1,0,1]=4 2071 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [1,0,0,0,1,0|1,0,1]=4 2072 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [1,0,0,0,1,0|1,0,1]=4 2073 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [1,0,0,0,1,0|1,0,1]=4 2074 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [1,0,0,0,1,0|1,0,1]=4 2075 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [1,0,0,0,1,0|1,0,1]=4 2076 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [1,0,0,0,1,0|1,0,1]=4 2077 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [1,0,0,0,1,0|2,0,0]=4 2078 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [1,0,0,0,1,0|2,0,0]=4 2079 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [1,0,0,0,1,0|2,0,0]=4 2080 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [1,0,0,0,1,0|1,0,1]=4 2081 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [1,0,0,0,1,0|1,0,1]=4 2082 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [1,0,0,0,1,0|1,0,1]=4 2083 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [1,0,0,0,1,0|1,0,1]=4 2084 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [1,0,0,0,1,0|2,0,0]=4 2085 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [1,0,0,0,1,0|2,0,0]=4 2086 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [1,0,0,0,1,0|2,0,0]=4 2087 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [1,0,0,0,1,0|1,0,1]=4 2088 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [1,0,0,0,1,0|1,0,1]=4 2089 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [1,0,0,0,1,0|2,0,0]=4 2090 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [1,0,0,0,1,0|2,0,0]=4 2091 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [1,0,0,0,1,0|2,0,0]=4 2092 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [1,0,0,0,1,0|2,0,0]=4 2093 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [1,0,0,0,1,0|2,0,0]=4 2094 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [1,0,0,0,1,0|2,0,0]=4 2095 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [1,0,0,0,1,0|1,0,1]=4 2096 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [1,0,0,0,1,0|1,0,1]=4 2097 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [1,0,0,0,1,0|1,0,1]=4 2098 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [1,0,0,0,1,0|2,0,0]=4 2099 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [1,0,0,0,1,0|2,0,0]=4 2100 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [1,0,0,0,1,0|2,0,0]=4 2101 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [1,0,0,0,1,0|1,0,1]=4 2102 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [1,0,0,0,1,0|1,0,1]=4 2103 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [1,0,0,0,1,0|1,0,1]=4 2104 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [1,0,0,0,1,0|1,0,1]=4 2105 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [1,0,0,0,1,0|1,0,1]=4 2106 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [1,0,0,0,1,0|1,0,1]=4 2107 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [1,0,0,0,1,0|2,0,0]=4 2108 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [1,0,0,0,1,0|2,0,0]=4 2109 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [1,0,0,0,1,0|2,0,0]=4 2110 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [1,0,0,0,1,0|2,0,0]=4 2111 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [1,0,0,0,1,0|2,0,0]=4 2112 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [1,0,0,0,1,0|2,0,0]=4 2113 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [1,0,0,0,1,0|2,0,0]=4 2114 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [1,0,0,0,1,0|2,0,0]=4 2115 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [1,0,0,0,1,0|1,0,1]=4 2116 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [1,0,0,0,1,0|1,0,1]=4 2117 B13R1.26 CCNN=C(CO)c1ccccc1 4a_100000756455_100000748912 [1,0,0,0,1,0|2,0,0]=4 2118 B15R1.78 CCCCCC(=NNc1ccccc1)C 4a_100015195140_100000211708 [1,0,0,0,0,1|1,0,0]=3 2119 B15R1.78 CCCCCC(=NNc1ccccn1)C 4a_100000183288_100000211708 [1,0,0,0,0,1|2,0,0]=4 2120 B15R1.78 CCCCCC(=NNc1cccnc1)C 4a_100000728903_100000211708 [1,0,0,0,0,1|2,0,0]=4 2121 B15R1.78 CCCCCC(=NNc1ccncc1)C 4a_100000698918_100000211708 [1,0,0,0,0,1|2,0,0]=4 2122 B15R1.78 CCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210326 [1,0,0,0,0,1|0,0,2]=4 2123 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [1,0,0,0,0,1|0,0,1]=3 2124 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [1,0,0,0,0,1|1,0,1]=4 2125 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [1,0,0,0,0,1|1,0,1]=4 2126 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [1,0,0,0,0,1|1,0,1]=4 2127 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210326 [1,0,0,0,0,1|0,0,2]=4 2128 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000212188_100000765856 [1,0,0,0,0,1|0,0,2]=4 2129 B15R1.78 CCCCCC(=O)CNc1ccccc1 34a_100000106764_200012276598 [1,0,0,0,0,1|0,0,2]=4 2130 B15R1.78 CCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210326 [1,0,0,0,0,1|0,0,2]=4 2131 B15R1.78 CCCCCC(=O)COc1ccccc1 34a_100000210340_200012276598 [1,0,0,0,0,1|0,0,2]=4 2132 B15R1.78 CCCCCC(=O)COc1ccccc1 7a_100000210340_200012276598 [1,0,0,0,0,1|0,0,2]=4 2133 B15R1.78 CCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210326 [1,0,0,0,0,1|0,0,2]=4 2134 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_100000719477_200012276598 [1,0,0,0,0,1|0,0,2]=4 2135 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_200012276598_100000041952 [1,0,0,0,0,1|0,0,2]=4 2136 B15R1.78 CCCCCC(=O)NCc1ccccc1 11a_100015324214_100000212188 [1,0,0,0,0,1|0,0,2]=4 2137 B15R1.78 CCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000212188 [1,0,0,0,0,1|0,0,2]=4 2138 B15R1.78 CCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000212188 [1,0,0,0,0,1|0,0,2]=4 2139 B15R1.78 CCCCCC(=O)NCc1ccccc1 527a_100015324214_100000212188 [1,0,0,0,0,1|0,0,2]=4 2140 B15R1.78 CCCCCC(=O)NNc1ccccc1 22a_100015195140_100000212188 [1,0,0,0,0,1|1,0,1]=4 2141 B15R1.78 CCCCCC(C)NCc1ccccc1 207a_100000211957_100015611070 [1,0,0,0,0,1|0,0,2]=4 2142 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100000211957_100015291786 [1,0,0,0,0,1|0,0,2]=4 2143 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218191 [1,0,0,0,0,1|0,0,2]=4 2144 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100000211957_100015611070 [1,0,0,0,0,1|0,0,2]=4 2145 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100015324214_100000211708 [1,0,0,0,0,1|0,0,2]=4 2146 B15R1.78 CCCCCC(C)NCc1ccccc1 34a_100015324214_200011218191 [1,0,0,0,0,1|0,0,2]=4 2147 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100000210790_200011218191 [1,0,0,0,0,1|0,0,2]=4 2148 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100011215632_100015291786 [1,0,0,0,0,1|0,0,2]=4 2149 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100000210790_200011218191 [1,0,0,0,0,1|0,0,2]=4 2150 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100011215632_100000211182 [1,0,0,0,0,1|0,0,2]=4 2151 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_100000211182_200011218191 [1,0,0,0,0,1|0,0,2]=4 2152 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_200011218191_100015291786 [1,0,0,0,0,1|0,0,2]=4 2153 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000207497_100000210326 [1,0,0,0,0,1|1,0,1]=4 2154 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000223495_100000765856 [1,0,0,0,0,1|1,0,1]=4 2155 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000207497_100000210215 [1,0,0,0,0,1|1,0,1]=4 2156 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000223495_100000765856 [1,0,0,0,0,1|1,0,1]=4 2157 B15R1.78 CCCCCN(C)CSc1ccccc1 2230a_100000223495_100011218342 [1,0,0,0,0,1|1,0,1]=4 2158 B15R1.78 CCCCCN(C)CSc1ccccc1 269982a_100000223495_100011218342 [1,0,0,0,0,1|1,0,1]=4 2159 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [1,0,0,0,0,1|1,0,1]=4 2160 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [1,0,0,0,0,1|1,0,1]=4 2161 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [1,0,0,0,0,1|2,0,0]=4 2162 B15R1.78 CCCSCC(=NNc1ccccc1)C 4a_100015195140_100011343953 [1,0,0,0,0,1|2,0,0]=4 2163 B15R1.78 CCOCCC(=NNc1ccccc1)C 4a_100015195140_200011216536 [1,0,0,0,0,1|2,0,0]=4 2164 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [1,0,0,0,0,1|1,0,1]=4 2165 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [1,0,0,0,0,1|1,0,1]=4 2166 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [1,0,0,0,0,1|1,0,1]=4 2167 B15R1.78 CSCCCC(=NNc1ccccc1)C 4a_100015195140_100011399439 [1,0,0,0,0,1|2,0,0]=4 2168 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [1,0,0,0,0,1|1,0,1]=4 2169 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [1,0,0,0,0,1|1,0,1]=4 2170 B15R1.3921 CCCCC(=NNc1ccccc1)CC 4a_100015195140_100000753412 [1,0,0,0,0,1|2,0,0]=4 2171 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 207a_100011934283_100015611070 [1,0,0,0,0,1|0,0,2]=4 2172 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 2230a_100011934283_100015291786 [1,0,0,0,0,1|0,0,2]=4 2173 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 270004a_100011934283_100015611070 [1,0,0,0,0,1|0,0,2]=4 2174 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 34a_100011934283_100015291786 [1,0,0,0,0,1|0,0,2]=4 2175 B17R1.1937 CCCCCC(=NNCc1ccccc1)CC 4a_100000007032_100011215316 [0,0,0,0,0,2|1,0,1]=4 2176 B17R1.1937 CCCCCN(CC)C/C=C/c1ccccc1 2230a_100020603567_100000210326 [0,0,0,0,0,2|2,0,0]=4 2177 B17R1.1937 CCCCCN(CC)C/C=C/c1ccccc1 269982a_100020603567_100000210215 [0,0,0,0,0,2|2,0,0]=4