0 B21R3.8069667 CCCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210211 [0,0,0,0,0,0|3,1,0]=4 1 B21R3.8069667 CCCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210211 [0,0,0,0,0,0|3,1,0]=4 2 B21R3.8069667 CCCNCc1c2ccccc2cc3c1cccc3 207a_100020643023_100000261405 [0,0,0,0,0,0|4,0,0]=4 3 B21R3.8069667 CCCNCc1c2ccccc2cc3c1cccc3 270004a_100020643023_100000261405 [0,0,0,0,0,0|4,0,0]=4 4 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210303 [0,0,0,0,0,0|4,0,0]=4 5 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 34a_100000210258_100009992879 [0,0,0,0,0,0|4,0,0]=4 6 B21R3.8069667 CCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210303 [0,0,0,0,0,0|4,0,0]=4 7 B21R3.8069667 COCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100011201679 [0,0,0,0,0,0|3,1,0]=4 8 B21R3.8069667 COCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100011201679 [0,0,0,0,0,0|4,0,0]=4 9 B21R3.8069667 COCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000233755 [0,0,0,0,0,0|3,1,0]=4 10 B21R3.8069667 COCCSc1c2ccccc2cc3c1cccc3 62a_100000233755_100000185772 [0,0,0,0,0,0|4,0,0]=4 11 B21R3.8069667 COCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000233755 [0,0,0,0,0,0|4,0,0]=4 12 B21R3.8069667 COCSCc1c2ccccc2cc3c1cccc3 62a_100000766300_100009992879 [0,0,0,0,0,0|4,0,0]=4 13 B21R3.8069667 COCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000766300 [0,0,0,0,0,0|4,0,0]=4 14 B21R3.8069667 COCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000766300 [0,0,0,0,0,0|4,0,0]=4 15 B21R3.8069667 CSCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000751147 [0,0,0,0,0,0|3,1,0]=4 16 B21R3.8069667 CSCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000212216 [0,0,0,0,0,0|4,0,0]=4 17 B21R3.8069667 CSCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000212216 [0,0,0,0,0,0|3,1,0]=4 18 B21R3.8069667 CSCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000751147 [0,0,0,0,0,0|4,0,0]=4 19 B21R3.8069667 CSCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011218213 [0,0,0,0,0,0|4,0,0]=4 20 B21R3.8069667 CSCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100011218213 [0,0,0,0,0,0|4,0,0]=4 21 B20R3.368533 CCCCc1c2ccccc2nc3c1cccc3 271570a_100020621405_100000044299 [1,0,0,0,0,0|2,0,0]=3 22 B20R3.368533 CCCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000210303 [1,0,0,0,0,0|2,1,0]=4 23 B20R3.368533 CCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210303 [1,0,0,0,0,0|3,0,0]=4 24 B20R3.368533 CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000210303 [1,0,0,0,0,0|2,1,0]=4 25 B20R3.368533 CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210303 [1,0,0,0,0,0|3,0,0]=4 26 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 207a_100015525214_100000261405 [1,0,0,0,0,0|3,0,0]=4 27 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 2230a_100015525214_100009992879 [1,0,0,0,0,0|3,0,0]=4 28 B20R3.368533 CCNCc1c2ccccc2cc3c1cccc3 270004a_100015525214_100000261405 [1,0,0,0,0,0|3,0,0]=4 29 B20R3.368533 CCNCc1c2ccccc2nc3c1cccc3 2230a_100015525214_100009813545 [1,0,0,0,0,0|3,0,0]=4 30 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210202 [1,0,0,0,0,0|3,0,0]=4 31 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 34a_100121572206_100009992879 [1,0,0,0,0,0|3,0,0]=4 32 B20R3.368533 CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210202 [1,0,0,0,0,0|3,0,0]=4 33 B20R3.368533 CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000210202 [1,0,0,0,0,0|3,0,0]=4 34 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000731252 [0,0,1,0,0,0|2,0,1]=4 35 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000695029 [0,0,1,0,0,0|2,0,1]=4 36 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215417 [0,0,1,0,0,0|2,0,1]=4 37 B20R2.16905 C#CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000731252 [0,0,1,0,0,0|1,1,1]=4 38 B20R2.16905 C#CCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000695029 [0,0,1,0,0,0|1,1,1]=4 39 B20R2.16905 C#CCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000731252 [0,0,1,0,0,0|1,0,1]=3 40 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011713584 [0,0,1,0,0,0|2,0,1]=4 41 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757094 [0,0,1,0,0,0|2,0,1]=4 42 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757094 [0,0,1,0,0,0|2,0,1]=4 43 B20R2.16905 C=CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011713584 [0,0,1,0,0,0|1,1,1]=4 44 B20R2.16905 C=CCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000757094 [0,0,1,0,0,0|1,1,1]=4 45 B20R2.16905 C=COCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000039644 [0,0,1,0,0,0|2,0,1]=4 46 B20R2.16905 CCC#CCNc1ccccc1Sc2ccccc2 2230a_100000210917_100009813939 [0,0,1,0,0,0|1,0,2]=4 47 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210326 [0,0,1,0,0,0|2,0,0]=3 48 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000718602 [0,0,1,0,0,0|2,0,0]=3 49 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210326 [0,0,1,0,0,0|2,0,0]=3 50 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000718602 [0,0,1,0,0,0|3,0,0]=4 51 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210326 [0,0,1,0,0,0|3,0,0]=4 52 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011215890 [0,0,1,0,0,0|3,0,0]=4 53 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210147 [0,0,1,0,0,0|3,0,0]=4 54 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215890 [0,0,1,0,0,0|3,0,0]=4 55 B20R2.16905 CCOCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011215890 [0,0,1,0,0,0|2,1,0]=4 56 B20R2.16905 CCOCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000210147 [0,0,1,0,0,0|2,1,0]=4 57 B20R2.16905 CCOCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011215890 [0,0,1,0,0,0|2,0,0]=3 58 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000757381 [0,0,1,0,0,0|3,0,0]=4 59 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757381 [0,0,1,0,0,0|3,0,0]=4 60 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757381 [0,0,1,0,0,0|3,0,0]=4 61 B20R2.16905 CCSCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000757381 [0,0,1,0,0,0|2,1,0]=4 62 B20R2.16905 CCSCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000757381 [0,0,1,0,0,0|2,1,0]=4 63 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100000719477_100015186278 [0,0,1,0,0,0|1,0,0]=2 64 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100015186278_100000041952 [0,0,1,0,0,0|1,0,0]=2 65 B20R2.16905 CNCCCOc1ccccc1Sc2ccccn2 62a_100011216584_100015186278 [0,0,1,0,0,0|2,0,0]=3 66 B20R2.16905 CNCCCOc1ccccc1Sc2ccccn2 62a_100015186278_100011216584 [0,0,1,0,0,0|2,0,0]=3 67 B20R2.16905 CNCCCOc1ccccc1Sc2cccnc2 62a_100000210063_100015186278 [0,0,1,0,0,0|2,0,0]=3 68 B20R2.16905 CNCCCOc1ccccc1Sc2cccnc2 62a_100015186278_100000210063 [0,0,1,0,0,0|2,0,0]=3 69 B20R2.16905 CNCCCOc1ccccc1Sc2cccnn2 62a_100015186278_100016991348 [0,0,1,0,0,0|3,0,0]=4 70 B20R2.16905 CNCCCOc1ccccc1Sc2cccnn2 62a_100016991348_100015186278 [0,0,1,0,0,0|3,0,0]=4 71 B20R2.16905 CNCCCOc1ccccc1Sc2ccncc2 62a_100000728582_100015186278 [0,0,1,0,0,0|2,0,0]=3 72 B20R2.16905 CNCCCOc1ccccc1Sc2ccncc2 62a_100015186278_100000728582 [0,0,1,0,0,0|2,0,0]=3 73 B20R2.16905 CNCCCOc1ccccc1Sc2ccncn2 62a_100000703185_100015186278 [0,0,1,0,0,0|3,0,0]=4 74 B20R2.16905 CNCCCOc1ccccc1Sc2ccncn2 62a_100015186278_100000703185 [0,0,1,0,0,0|3,0,0]=4 75 B20R2.16905 CNCCCOc1ccccc1Sc2ccnnc2 62a_100000732662_100015186278 [0,0,1,0,0,0|3,0,0]=4 76 B20R2.16905 CNCCCOc1ccccc1Sc2ccnnc2 62a_100015186278_100000732662 [0,0,1,0,0,0|3,0,0]=4 77 B20R2.16905 CNCCCOc1ccccc1Sc2cnccn2 62a_100000211759_100015186278 [0,0,1,0,0,0|3,0,0]=4 78 B20R2.16905 CNCCCOc1ccccc1Sc2cnccn2 62a_100015186278_100000211759 [0,0,1,0,0,0|3,0,0]=4 79 B20R2.16905 CNCCCOc1ccccc1Sc2cncnc2 62a_100011206942_100015186278 [0,0,1,0,0,0|3,0,0]=4 80 B20R2.16905 CNCCCOc1ccccc1Sc2cncnc2 62a_100015186278_100011206942 [0,0,1,0,0,0|3,0,0]=4 81 B20R2.16905 CNCCCOc1ccccc1Sc2ncccn2 62a_100000211032_100015186278 [0,0,1,0,0,0|3,0,0]=4 82 B20R2.16905 CNCCCOc1ccccc1Sc2ncccn2 62a_100015186278_100000211032 [0,0,1,0,0,0|3,0,0]=4 83 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000740836 [0,0,1,0,0,0|2,0,0]=3 84 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000740836 [0,0,1,0,0,0|2,0,0]=3 85 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000740836 [0,0,1,0,0,0|2,0,0]=3 86 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000740836 [0,0,1,0,0,0|1,1,0]=3 87 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000740836 [0,0,1,0,0,0|1,1,0]=3 88 B20R2.16905 COCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000740836 [0,0,1,0,0,0|1,0,0]=2 89 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000740836 [0,0,1,0,0,0|3,0,0]=4 90 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000740836 [0,0,1,0,0,0|3,0,0]=4 91 B20R2.16905 COCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000740836 [0,0,1,0,0,0|2,1,0]=4 92 B20R2.16905 COCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000740836 [0,0,1,0,0,0|2,1,0]=4 93 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_100000709357_200011216382 [0,0,1,0,0,0|3,0,0]=4 94 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000709357 [0,0,1,0,0,0|3,0,0]=4 95 B20R2.16905 COCCCSc1ccccc1Nc2ccccc2 62a_100000709357_100009815782 [0,0,1,0,0,0|3,0,0]=4 96 B20R2.16905 COCCCSc1ccccc1Oc2ccccc2 62a_100000709357_100000049502 [0,0,1,0,0,0|2,1,0]=4 97 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000729493 [0,0,1,0,0,0|3,0,0]=4 98 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000729493 [0,0,1,0,0,0|3,0,0]=4 99 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000729493 [0,0,1,0,0,0|3,0,0]=4 100 B20R2.16905 FCCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000729493 [0,0,1,0,0,0|2,1,0]=4 101 B20R2.16905 FCCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000729493 [0,0,1,0,0,0|2,1,0]=4 102 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000687738 [0,0,1,0,0,0|3,0,0]=4 103 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000687738 [0,0,1,0,0,0|3,0,0]=4 104 B20R2.16905 N#CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000687738 [0,0,1,0,0,0|2,1,0]=4 105 B20R2.16905 N#CCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000687738 [0,0,1,0,0,0|2,0,0]=3 106 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200011292268 [0,0,1,0,0,0|3,0,0]=4 107 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_200011292268 [0,0,1,0,0,0|3,0,0]=4 108 B20R2.16905 O=CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_200011292268 [0,0,1,0,0,0|2,1,0]=4 109 B20R2.16905 O=CCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_200011292268 [0,0,1,0,0,0|2,0,0]=3 110 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210776 [0,0,1,0,0,0|3,0,0]=4 111 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011216708 [0,0,1,0,0,0|3,0,0]=4 112 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210776 [0,0,1,0,0,0|3,0,0]=4 113 B20R2.16905 OCCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000210776 [0,0,1,0,0,0|2,1,0]=4 114 B20R2.16905 OCCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100011216708 [0,0,1,0,0,0|2,1,0]=4 115 B20R2.16905 OCCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000210776 [0,0,1,0,0,0|2,0,0]=3 116 B20R2.21885 CCCCCN(c1ccccc1)c2ccncc2C 27a_200000219563_100000765111 [0,0,1,0,0,0|3,0,0]=4 117 B20R2.21885 CCCCCN(c1ccccc1)c2ccncc2F 27a_200000219563_100000035921 [0,0,1,0,0,0|3,0,0]=4 118 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000102301_100000211598 [0,0,0,0,1,0|3,0,0]=4 119 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210211 [0,0,0,0,1,0|3,0,0]=4 120 B20R3.2040304 CCCCNC1c2ccccc2-c3c1cccc3 7a_106832991798_100000211598 [0,0,0,0,1,0|3,0,0]=4 121 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000210227_100000211598 [0,0,0,0,1,0|3,0,0]=4 122 B20R3.2040304 CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210211 [0,0,0,0,1,0|3,0,0]=4 123 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210303 [0,0,0,0,1,0|3,0,0]=4 124 B20R3.2040304 CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210303 [0,0,0,0,1,0|3,0,0]=4 125 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210303 [0,0,0,0,1,0|3,0,0]=4 126 B20R3.2040304 CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210303 [0,0,0,0,1,0|3,0,0]=4 127 B20R3.2040304 CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210202 [0,0,0,0,1,0|2,0,0]=3 128 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011201679 [0,0,0,0,1,0|3,0,0]=4 129 B20R3.2040304 COCCNC1c2ccccc2-c3c1cccc3 2230a_100000209980_100000211598 [0,0,0,0,1,0|3,0,0]=4 130 B20R3.2040304 COCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000233755 [0,0,0,0,1,0|3,0,0]=4 131 B20R3.2040304 COCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000233755 [0,0,0,0,1,0|3,0,0]=4 132 B20R3.2040304 COCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000766300 [0,0,0,0,1,0|3,0,0]=4 133 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000751147 [0,0,0,0,1,0|3,0,0]=4 134 B20R3.2040304 CSCCNC1c2ccccc2-c3c1cccc3 2230a_100020590264_100000211598 [0,0,0,0,1,0|3,0,0]=4 135 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000212216 [0,0,0,0,1,0|3,0,0]=4 136 B20R3.2040304 CSCCOC1c2ccccc2-c3c1cccc3 7a_100000230434_100000211598 [0,0,0,0,1,0|3,0,0]=4 137 B20R3.2040304 CSCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000751147 [0,0,0,0,1,0|3,0,0]=4 138 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011218213 [0,0,0,0,1,0|3,0,0]=4 139 B20R3.2040304 CSCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011218213 [0,0,0,0,1,0|3,0,0]=4 140 B20R3.2040304 CSCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011218213 [0,0,0,0,1,0|3,0,0]=4 141 B20R3.2040304 FCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100015361967 [0,0,0,0,1,0|3,0,0]=4 142 B19R2.8977 C#CCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000688953 [1,0,1,0,0,0|0,0,2]=4 143 B19R2.8977 C=CCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000754431 [1,0,1,0,0,0|0,0,2]=4 144 B19R2.8977 CC#CCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000748600 [1,0,1,0,0,0|0,0,2]=4 145 B19R2.8977 CC=CCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000070051 [1,0,1,0,0,0|0,0,2]=4 146 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210211 [1,0,1,0,0,0|1,0,0]=3 147 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210210 [1,0,1,0,0,0|1,0,0]=3 148 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210211 [1,0,1,0,0,0|1,0,0]=3 149 B19R2.8977 CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000210211 [1,0,1,0,0,0|0,1,0]=3 150 B19R2.8977 CCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000210210 [1,0,1,0,0,0|0,1,0]=3 151 B19R2.8977 CCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000210210 [1,0,1,0,0,0|2,0,0]=4 152 B19R2.8977 CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210211 [1,0,1,0,0,0|2,0,0]=4 153 B19R2.8977 CCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000210210 [1,0,1,0,0,0|1,1,0]=4 154 B19R2.8977 CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000210211 [1,0,1,0,0,0|1,1,0]=4 155 B19R2.8977 CCCCOc1ccccc1Sc2ccccn2 62a_100000230755_100011216584 [1,0,1,0,0,0|2,0,0]=4 156 B19R2.8977 CCCCOc1ccccc1Sc2ccccn2 62a_100011216584_100000230755 [1,0,1,0,0,0|2,0,0]=4 157 B19R2.8977 CCCCOc1ccccc1Sc2cccnc2 62a_100000210063_100000230755 [1,0,1,0,0,0|2,0,0]=4 158 B19R2.8977 CCCCOc1ccccc1Sc2cccnc2 62a_100000230755_100000210063 [1,0,1,0,0,0|2,0,0]=4 159 B19R2.8977 CCCCOc1ccccc1Sc2ccncc2 62a_100000230755_100000728582 [1,0,1,0,0,0|2,0,0]=4 160 B19R2.8977 CCCCOc1ccccc1Sc2ccncc2 62a_100000728582_100000230755 [1,0,1,0,0,0|2,0,0]=4 161 B19R2.8977 CCCNCc1ccccc1Sc2ccccc2 62a_100000196483_100000041952 [1,0,1,0,0,0|2,0,0]=4 162 B19R2.8977 CCCNCc1ccccc1Sc2ccccc2 62a_100000719477_100000196483 [1,0,1,0,0,0|2,0,0]=4 163 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011201679 [1,0,1,0,0,0|2,0,0]=4 164 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011201679 [1,0,1,0,0,0|2,0,0]=4 165 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000233755 [1,0,1,0,0,0|2,0,0]=4 166 B19R2.8977 COCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011201679 [1,0,1,0,0,0|1,1,0]=4 167 B19R2.8977 COCCNc1ccccc1Oc2ccccc2 34a_100000182328_100011201679 [1,0,1,0,0,0|1,1,0]=4 168 B19R2.8977 COCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011201679 [1,0,1,0,0,0|1,0,0]=3 169 B19R2.8977 COCCOc1ccccc1Sc2ccccc2 62a_100000234100_100000041952 [1,0,1,0,0,0|2,0,0]=4 170 B19R2.8977 COCCOc1ccccc1Sc2ccccc2 62a_100000719477_100000234100 [1,0,1,0,0,0|2,0,0]=4 171 B19R2.8977 COCCSc1ccccc1Sc2ccccc2 62a_100000719477_200016336083 [1,0,1,0,0,0|2,0,0]=4 172 B19R2.8977 COCCSc1ccccc1Sc2ccccc2 62a_200016336083_100000041952 [1,0,1,0,0,0|2,0,0]=4 173 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000751147 [1,0,1,0,0,0|2,0,0]=4 174 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000212216 [1,0,1,0,0,0|2,0,0]=4 175 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000212216 [1,0,1,0,0,0|2,0,0]=4 176 B19R2.8977 CSCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000751147 [1,0,1,0,0,0|1,1,0]=4 177 B19R2.8977 CSCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000212216 [1,0,1,0,0,0|1,1,0]=4 178 B19R2.8977 CSCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000751147 [1,0,1,0,0,0|1,0,0]=3 179 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011934791 [1,0,1,0,0,0|2,0,0]=4 180 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011934791 [1,0,1,0,0,0|2,0,0]=4 181 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011934791 [1,0,1,0,0,0|2,0,0]=4 182 B19R2.8977 FCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011934791 [1,0,1,0,0,0|1,1,0]=4 183 B19R2.8977 FCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100011934791 [1,0,1,0,0,0|1,1,0]=4 184 B19R2.8977 FCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011934791 [1,0,1,0,0,0|1,0,0]=3 185 B19R2.8977 N#CCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011215226 [1,0,1,0,0,0|0,0,2]=4 186 B19R2.8977 OCCCCc1ccccc1Sc2ccccc2 62a_100000719477_100012092669 [1,0,1,0,0,0|2,0,0]=4 187 B19R2.8977 OCCCCc1ccccc1Sc2ccccc2 62a_100012092669_100000041952 [1,0,1,0,0,0|2,0,0]=4 188 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000230001 [1,0,1,0,0,0|2,0,0]=4 189 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000230001 [1,0,1,0,0,0|2,0,0]=4 190 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215043 [1,0,1,0,0,0|2,0,0]=4 191 B19R2.8977 OCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000230001 [1,0,1,0,0,0|1,1,0]=4 192 B19R2.8977 OCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000230001 [1,0,1,0,0,0|1,1,0]=4 193 B19R2.8977 OCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000230001 [1,0,1,0,0,0|1,0,0]=3 194 B19R2.2474 CCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210202 [1,0,1,0,0,0|2,0,0]=4 195 B19R2.2474 CCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210202 [1,0,1,0,0,0|2,0,0]=4 196 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200000210301 [1,0,1,0,0,0|0,1,0]=3 197 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200000210301 [1,0,1,0,0,0|0,1,0]=3 198 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 2230a_106832991635_100000734929 [1,0,1,0,0,0|2,0,0]=4 199 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 34a_100102657272_100000734929 [1,0,1,0,0,0|2,0,0]=4 200 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 7a_106832991635_100000734929 [1,0,1,0,0,0|2,0,0]=4 201 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200025704644 [1,0,1,0,0,0|0,1,0]=3 202 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200025704644 [1,0,1,0,0,0|0,1,0]=3 203 B19R2.4625 CCCCN(c1ccccc1)c2ccncc2Br 27a_100000211623_100000726257 [1,0,1,0,0,0|2,0,0]=4 204 B19R2.4625 CCCCN(c1ccccc1)c2ccncc2C 27a_100000211623_100000765111 [1,0,1,0,0,0|2,0,0]=4 205 B19R2.4625 CCCCN(c1ccccc1)c2ccncc2F 27a_100000211623_100000035921 [1,0,1,0,0,0|2,0,0]=4 206 B19R2.4625 CCCCN(c1ccccc1)c2ncccc2Br 27a_100000211623_100000696092 [1,0,1,0,0,0|2,0,0]=4 207 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 207a_100102657272_100000261405 [2,0,0,0,0,0|2,0,0]=4 208 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 2230a_106832991635_100009992879 [2,0,0,0,0,0|2,0,0]=4 209 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 270004a_106832991635_100000261405 [2,0,0,0,0,0|2,0,0]=4 210 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 34a_100102657272_100009992879 [2,0,0,0,0,0|2,0,0]=4 211 B19R3.109688 CNCc1c2ccccc2cc3c1cccc3 7a_106832991635_100009992879 [2,0,0,0,0,0|2,0,0]=4 212 B19R3.109688 CNCc1c2ccccc2nc3c1cccc3 2230a_106832991635_100009813545 [2,0,0,0,0,0|2,0,0]=4 213 B19R3.109688 CNCc1c2ccccc2nc3c1cccc3 7a_106832991635_100009813545 [2,0,0,0,0,0|2,0,0]=4 214 B21R3.7877738 CC(=O)CCN1c2ccccc2Sc3c1cccc3 1458a_200000489519_200000210301 [1,1,0,0,0,0|0,0,1]=3 215 B21R3.7877738 [13CH3]C(=O)CCN1c2ccccc2Sc3c1cccc3 1458a_200000489519_200025704644 [1,1,0,0,0,0|0,0,1]=3 216 B21R3.8481400 CNCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_106832991635_100000680705 [1,1,0,0,0,0|0,0,1]=3 217 B21R3.8481400 CNCC(=O)N1c2ccccc2Sc3c1cccc3 7a_106832991635_100000680705 [1,1,0,0,0,0|0,0,1]=3 218 B21R3.3772129 C#CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000184674 [0,1,0,0,1,0|1,0,1]=4 219 B21R3.3772129 C=CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100015514636 [0,1,0,0,1,0|1,0,1]=4 220 B21R3.3772129 CCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210326 [0,1,0,0,1,0|2,0,0]=4 221 B21R3.3772129 CCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000209983_100000211598 [0,1,0,0,1,0|2,0,0]=4 222 B21R3.3772129 CCCCCOC1c2ccccc2-c3c1cccc3 7a_100000210253_100000211598 [0,1,0,0,1,0|2,0,0]=4 223 B21R3.3772129 CCCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210326 [0,1,0,0,1,0|2,0,0]=4 224 B21R3.3772129 CCCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210211 [0,1,0,0,1,0|2,0,0]=4 225 B21R3.3772129 CCCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210210 [0,1,0,0,1,0|2,0,0]=4 226 B21R3.3772129 CCCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210210 [0,1,0,0,1,0|2,0,0]=4 227 B21R3.3772129 CCCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210211 [0,1,0,0,1,0|2,0,0]=4 228 B21R3.3772129 CCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210303 [0,1,0,0,1,0|1,0,0]=3 229 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 2230a_106832991635_100000426982 [0,1,0,0,1,0|0,0,0]=2 230 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 7a_106832991635_100000426982 [0,1,0,0,1,0|0,0,0]=2 231 B21R3.3772129 COCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000740836 [0,1,0,0,1,0|2,0,0]=4 232 B21R3.3772129 COCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000740836 [0,1,0,0,1,0|2,0,0]=4 233 B21R3.3772129 COCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000709357 [0,1,0,0,1,0|2,0,0]=4 234 B21R3.3772129 COCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011201679 [0,1,0,0,1,0|2,0,0]=4 235 B21R3.3772129 COCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011201679 [0,1,0,0,1,0|2,0,0]=4 236 B21R3.3772129 COCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011201679 [0,1,0,0,1,0|2,0,0]=4 237 B21R3.3772129 COCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000233755 [0,1,0,0,1,0|2,0,0]=4 238 B21R3.3772129 CSCCCNC1c2ccccc2-c3c1cccc3 2230a_100000749238_100000211598 [0,1,0,0,1,0|2,0,0]=4 239 B21R3.3772129 CSCCCOC1c2ccccc2-c3c1cccc3 7a_100000690336_100000211598 [0,1,0,0,1,0|2,0,0]=4 240 B21R3.3772129 CSCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000751147 [0,1,0,0,1,0|2,0,0]=4 241 B21R3.3772129 CSCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000212216 [0,1,0,0,1,0|2,0,0]=4 242 B21R3.3772129 CSCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000212216 [0,1,0,0,1,0|2,0,0]=4 243 B21R3.3772129 CSCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000212216 [0,1,0,0,1,0|2,0,0]=4 244 B21R3.3772129 CSCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011218213 [0,1,0,0,1,0|1,0,0]=3 245 B21R3.3772129 FCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011217306 [0,1,0,0,1,0|2,0,0]=4 246 B21R3.3772129 O=CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_200009817547 [0,1,0,0,1,0|2,0,0]=4 247 B21R3.3772129 OCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000211926 [0,1,0,0,1,0|2,0,0]=4 248 B21R3.8487692 CCCC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000210303 [0,1,0,0,1,0|1,0,1]=4 249 B21R3.8487692 CNNC(=O)Cn1c2ccccc2c3c1cccc3 22a_100016993582_100000293892 [0,1,0,0,1,0|1,0,1]=4 250 B21R3.9552478 CCC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100000210202 [0,1,0,0,1,0|1,0,1]=4 251 B21R3.9552478 CNC(=O)CCn1c2ccccc2c3c1cccc3 11a_106832991635_100000489668 [0,1,0,0,1,0|0,0,1]=3 252 B21R3.9552478 CNC(=O)CCn1c2ccccc2c3c1cccc3 1626a_100102657272_100000489668 [0,1,0,0,1,0|0,0,1]=3 253 B21R3.9552478 CNC(=O)CCn1c2ccccc2c3c1cccc3 240690a_100102657272_100000489668 [0,1,0,0,1,0|0,0,1]=3 254 B21R3.9552478 CNC(=O)CCn1c2ccccc2c3c1cccc3 527a_100102657272_100000489668 [0,1,0,0,1,0|0,0,1]=3 255 B21R3.9913503 CC(C)OCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210206 [0,1,0,0,1,0|2,0,0]=4 256 B21R3.9913503 CN(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000755713 [0,1,0,0,1,0|2,0,0]=4 257 B21R3.9913503 CN(C)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000755713 [0,1,0,0,1,0|2,0,0]=4 258 B21R3.57 c1ccc(c(c1)Sc2ccncc2)N3CCCCC3 62a_100000728582_100159312943 [0,0,1,1,0,0|2,0,0]=4 259 B21R3.57 c1ccc(c(c1)Sc2ccncc2)N3CCCCC3 62a_100159312943_100000728582 [0,0,1,1,0,0|2,0,0]=4 260 B21R3.57 c1ccc(cc1)Sc2ccccc2C3CNCCN3 62a_100000719477_200010178367 [0,0,1,1,0,0|2,0,0]=4 261 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCCCC3 62a_100000719477_100159312943 [0,0,1,1,0,0|1,0,0]=3 262 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCCCC3 62a_100159312943_100000041952 [0,0,1,1,0,0|1,0,0]=3 263 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCNCC3 62a_100000719477_102495324788 [0,0,1,1,0,0|2,0,0]=4 264 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCNCC3 62a_102495324788_100000041952 [0,0,1,1,0,0|2,0,0]=4 265 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCOCC3 62a_100000719477_100011821384 [0,0,1,1,0,0|2,0,0]=4 266 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCOCC3 62a_100011821384_100000041952 [0,0,1,1,0,0|2,0,0]=4 267 B21R3.57 c1ccc(cc1)Sc2cccnc2N3CCCCC3 62a_100000719477_200103154647 [0,0,1,1,0,0|2,0,0]=4 268 B21R3.57 c1ccc(cc1)Sc2cccnc2N3CCCCC3 62a_200103154647_100000041952 [0,0,1,1,0,0|2,0,0]=4 269 B21R3.57 c1ccc(nc1)Sc2ccccc2N3CCCCC3 62a_100011216584_100159312943 [0,0,1,1,0,0|2,0,0]=4 270 B21R3.57 c1ccc(nc1)Sc2ccccc2N3CCCCC3 62a_100159312943_100011216584 [0,0,1,1,0,0|2,0,0]=4 271 B21R3.57 c1cncc(c1)Sc2ccccc2N3CCCCC3 62a_100000210063_100159312943 [0,0,1,1,0,0|2,0,0]=4 272 B21R3.57 c1cncc(c1)Sc2ccccc2N3CCCCC3 62a_100159312943_100000210063 [0,0,1,1,0,0|2,0,0]=4 273 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 2230a_100000211252_100000179811 [0,0,1,1,0,0|2,0,0]=4 274 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 34a_100000211252_100000179811 [0,0,1,1,0,0|2,0,0]=4 275 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 7a_100000211252_100000179811 [0,0,1,1,0,0|2,0,0]=4 276 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 2230a_100000211252_100000731011 [0,0,1,1,0,0|2,0,0]=4 277 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 34a_100000211252_100000690089 [0,0,1,1,0,0|2,0,0]=4 278 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 7a_100000211252_100000731011 [0,0,1,1,0,0|2,0,0]=4 279 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCCC3 2230a_100000182328_100000179811 [0,0,1,1,0,0|1,1,0]=4 280 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCCC3 34a_100000182328_100000179811 [0,0,1,1,0,0|1,1,0]=4 281 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCOC3 2230a_100000182328_100000731011 [0,0,1,1,0,0|1,1,0]=4 282 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCOC3 34a_100000182328_100000690089 [0,0,1,1,0,0|1,1,0]=4 283 B21R3.3142 c1ccc(cc1)Sc2ccccc2NC3CCOC3 2230a_100000210917_100000731011 [0,0,1,1,0,0|1,0,0]=3 284 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 2230a_100000211252_100000694398 [0,0,1,1,0,0|2,0,0]=4 285 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 34a_100000211252_100000694398 [0,0,1,1,0,0|2,0,0]=4 286 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 7a_100000211252_100000764125 [0,0,1,1,0,0|2,0,0]=4 287 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 2230a_100000211252_100000732470 [0,0,1,1,0,0|2,0,0]=4 288 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 34a_100000211252_100000732470 [0,0,1,1,0,0|2,0,0]=4 289 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 7a_100000211252_100000732470 [0,0,1,1,0,0|2,0,0]=4 290 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CC3 2230a_100000182328_100000694398 [0,0,1,1,0,0|1,1,0]=4 291 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CC3 34a_100000182328_100000694398 [0,0,1,1,0,0|1,1,0]=4 292 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CO3 2230a_100000182328_100000732470 [0,0,1,1,0,0|1,1,0]=4 293 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CO3 34a_100000182328_100000732470 [0,0,1,1,0,0|1,1,0]=4 294 B21R3.47878 c1ccc(cc1)Sc2ccccc2NCCC3CO3 2230a_100000210917_100000732470 [0,0,1,1,0,0|1,0,0]=3 295 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 2230a_100000211252_100000763275 [0,0,1,1,0,0|2,0,0]=4 296 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 34a_100000211252_100000763275 [0,0,1,1,0,0|2,0,0]=4 297 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 7a_100000211252_100000763275 [0,0,1,1,0,0|2,0,0]=4 298 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 2230a_100000211252_100010264016 [0,0,1,1,0,0|2,0,0]=4 299 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 34a_100000211252_100010264016 [0,0,1,1,0,0|2,0,0]=4 300 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 7a_100000211252_100010264016 [0,0,1,1,0,0|2,0,0]=4 301 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3CCC3 2230a_100000182328_100000763275 [0,0,1,1,0,0|1,1,0]=4 302 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3CCC3 34a_100000182328_100000763275 [0,0,1,1,0,0|1,1,0]=4 303 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3COC3 2230a_100000182328_100010264016 [0,0,1,1,0,0|1,1,0]=4 304 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3COC3 34a_100000182328_100010264016 [0,0,1,1,0,0|1,1,0]=4 305 B21R3.47892 c1ccc(cc1)Sc2ccccc2NCC3CCO3 2230a_100000210917_100000103362 [0,0,1,1,0,0|2,0,0]=4 306 B21R3.47892 c1ccc(cc1)Sc2ccccc2NCC3COC3 2230a_100000210917_100010264016 [0,0,1,1,0,0|1,0,0]=3 307 B21R3.146522 COCCCNc1cccc2c1oc3c2cccc3 34a_200000102501_100000740836 [0,0,1,1,0,0|1,1,0]=4 308 B19R2.127 C#CCCCNc1ccccc1c2ccccc2 34a_100000210918_100000695029 [0,0,1,0,1,0|1,0,1]=4 309 B19R2.127 C=CCCCNc1ccccc1c2ccccc2 34a_100000210918_100000757094 [0,0,1,0,1,0|1,0,1]=4 310 B19R2.127 CCCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000718602 [0,0,1,0,1,0|1,0,1]=4 311 B19R2.127 CCCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000210326 [0,0,1,0,1,0|1,0,1]=4 312 B19R2.127 CCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000718602 [0,0,1,0,1,0|1,0,0]=3 313 B19R2.127 CCCCCNc1ccccc1c2ccncc2 27a_100000209983_100010154595 [0,0,1,0,1,0|2,0,0]=4 314 B19R2.127 CCCCCNc1cccnc1c2ccccc2 27a_100000209983_100010138707 [0,0,1,0,1,0|2,0,0]=4 315 B19R2.127 CCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000718602 [0,0,1,0,1,0|2,0,0]=4 316 B19R2.127 CCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000210326 [0,0,1,0,1,0|2,0,0]=4 317 B19R2.127 CCOCCNc1ccccc1c2ccccc2 34a_100000210918_100000210147 [0,0,1,0,1,0|2,0,0]=4 318 B19R2.127 CCSCCNc1ccccc1c2ccccc2 34a_100000210918_100000757381 [0,0,1,0,1,0|2,0,0]=4 319 B19R2.127 CNCCCOc1ccccc1c2ccccc2 271570a_100011218836_100015186278 [0,0,1,0,1,0|1,0,0]=3 320 B19R2.127 CNCCCOc1ccccc1c2ccccn2 271570a_100011264011_100015186278 [0,0,1,0,1,0|2,0,0]=4 321 B19R2.127 CNCCCOc1ccccc1c2cccnc2 271570a_100000757648_100015186278 [0,0,1,0,1,0|2,0,0]=4 322 B19R2.127 CNCCCOc1ccccc1c2ccncc2 271570a_100000752145_100015186278 [0,0,1,0,1,0|2,0,0]=4 323 B19R2.127 COCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000740836 [0,0,1,0,1,0|1,0,1]=4 324 B19R2.127 COCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000740836 [0,0,1,0,1,0|1,0,1]=4 325 B19R2.127 COCCCNc1ccccc1c2ccccc2 34a_100000210918_100000740836 [0,0,1,0,1,0|1,0,0]=3 326 B19R2.127 COCCCNc1ccccc1c2ccncc2 27a_100150723488_100010154595 [0,0,1,0,1,0|2,0,0]=4 327 B19R2.127 COCCCNc1cccnc1c2ccccc2 27a_100150723488_100010138707 [0,0,1,0,1,0|2,0,0]=4 328 B19R2.127 COCCCOc1ccccc1c2ccccc2 34a_100000210297_100000740836 [0,0,1,0,1,0|2,0,0]=4 329 B19R2.127 COCCCOc1ccccc1c2ccccc2 7a_100000210297_100000740836 [0,0,1,0,1,0|2,0,0]=4 330 B19R2.127 COCCCSc1ccccc1c2ccccc2 62a_100000033479_100000709357 [0,0,1,0,1,0|2,0,0]=4 331 B19R2.127 COCCCSc1ccccc1c2ccccc2 62a_100000709357_100000033479 [0,0,1,0,1,0|2,0,0]=4 332 B19R2.127 CSCCCNc1ccccc1c2ccncc2 27a_100000749238_100010154595 [0,0,1,0,1,0|2,0,0]=4 333 B19R2.127 CSCCCNc1cccnc1c2ccccc2 27a_100000749238_100010138707 [0,0,1,0,1,0|2,0,0]=4 334 B19R2.127 FCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000729493 [0,0,1,0,1,0|2,0,0]=4 335 B19R2.127 OCCCCNc1ccccc1c2ccccc2 34a_100000210918_100011216708 [0,0,1,0,1,0|2,0,0]=4 336 B19R2.9411 CNCCCOc1ccccc1Sc2ccco2 62a_100009814098_100015186278 [0,0,1,0,1,0|2,0,0]=4 337 B19R2.9411 CNCCCOc1ccccc1Sc2ccco2 62a_100015186278_100009814098 [0,0,1,0,1,0|2,0,0]=4 338 B19R2.9411 CNCCCOc1ccccc1Sc2cccs2 62a_100011215356_100015186278 [0,0,1,0,1,0|2,0,0]=4 339 B19R2.9411 CNCCCOc1ccccc1Sc2cccs2 62a_100015186278_100011215356 [0,0,1,0,1,0|2,0,0]=4 340 B19R2.9411 CNCCCOc1ccccc1Sc2ccoc2 62a_100011215275_100015186278 [0,0,1,0,1,0|2,0,0]=4 341 B19R2.9411 CNCCCOc1ccccc1Sc2ccoc2 62a_100015186278_100011215275 [0,0,1,0,1,0|2,0,0]=4 342 B19R2.9411 CNCCCOc1ccccc1Sc2ccsc2 62a_100000738268_100015186278 [0,0,1,0,1,0|2,0,0]=4 343 B19R2.9411 CNCCCOc1ccccc1Sc2ccsc2 62a_100015186278_100000738268 [0,0,1,0,1,0|2,0,0]=4 344 B19R3.223646 CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210303 [1,0,0,0,1,0|2,0,0]=4 345 B19R3.223646 CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210303 [1,0,0,0,1,0|2,0,0]=4 346 B19R3.223646 CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210303 [1,0,0,0,1,0|2,0,0]=4 347 B19R3.223646 CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210202 [1,0,0,0,1,0|2,0,0]=4 348 B19R3.223646 CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210202 [1,0,0,0,1,0|2,0,0]=4 349 B19R3.223646 CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210202 [1,0,0,0,1,0|2,0,0]=4 350 B19R3.223646 CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210202 [1,0,0,0,1,0|2,0,0]=4 351 B19R3.223646 COCCn1c2ccccc2c3c1cccc3 34a_100000297428_200000210301 [1,0,0,0,1,0|1,0,0]=3 352 B19R3.223646 [13CH3]OCCn1c2ccccc2c3c1cccc3 34a_100000297428_200025704644 [1,0,0,0,1,0|1,0,0]=3 353 B21R3.590114 CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210303 [1,0,0,0,0,1|2,0,0]=4