0 B13R2.3 C1CCN(CC1)c2ccccn2 CSC000156112 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.21 Brc1cncc(c1)N2CCCCC2 CSC011949838 [0,1,0,0,0,0|2,0,0]=3 2 B14R2.21 Brc1cncc(c1)N2CCNCC2 CSC012354265 [0,1,0,0,0,0|3,0,0]=4 3 B14R2.21 Brc1cncc(c1)N2CCOCC2 CSC011949866 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.21 NC1CCCN(C1)c2cnccn2 CSC011448361 [0,1,0,0,0,0|3,0,0]=4 5 B14R2.24 Cc1nccnc1N2CCCCC2 CSC011996265 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,0,1,0,0,0|2,0,0]=3 7 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,0,1,0,0,0|1,0,2]=4 8 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,0,1,0,0,0|1,0,0]=2 11 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [0,0,1,0,0,0|2,0,0]=3 12 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [0,0,1,0,0,0|0,0,0]=1 13 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.8 COCCNCc1ccncc1 CSC000200151 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,0,1,0,0,0|1,0,2]=4 18 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,0,1,0,0,0|2,0,0]=3 19 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,0,1,0,0,0|1,0,0]=2 22 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,0,1,0,0,0|1,0,2]=4 23 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,0,1,0,0,0|2,0,0]=3 24 B14R2.6 C(N1CCCCC1)c2cccnc2 CSC011210942 [0,0,0,0,0,1|2,0,0]=3 25 B14R2.6 C(N1CCNCC1)c2cccnc2 CSC000241969 [0,0,0,0,0,1|3,0,0]=4 26 B14R2.6 C(N1CCOCC1)c2cccnc2 CSC011210961 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,1,0,0,0|0,0,0]=2 35 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,1,0,0,0|2,0,0]=4 39 B13R1.1 CCNC(CC)c1ccc(cc1)Br CSC000231377 [0,1,1,0,0,0|1,0,0]=3 40 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,1,1,0,0,0|1,0,0]=3 41 B13R1.713 CCC(NC(C)C)c1ccccc1 CSC000712692 [0,1,1,0,0,0|1,0,0]=3 42 B13R1.6 CCCCNCc1cccc(c1)Br CSC000196034 [0,1,1,0,0,0|1,0,0]=3 43 B13R1.6 CCCCNCc1cccc(c1)C CSC000196050 [0,1,1,0,0,0|1,0,0]=3 44 B13R1.6 CCCCNCc1cccc(c1)Cl CSC000188330 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.6 CNCCNCc1cccc(c1)Br CSC013333450 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.6 CNCCNCc1cncc(c1)Br CSC013333181 [0,1,1,0,0,0|1,0,0]=3 47 B13R1.6 COCCNCc1cccc(c1)Br CSC000195707 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.6 COCCNCc1cccc(c1)C CSC000195726 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.6 COCCNCc1cccc(c1)Cl CSC000195710 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.6 COCCNCc1cccc(c1)O CSC000195722 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.6 Cc1cccc(c1)CNCCCO CSC000196006 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.6 NCCCNCc1cccc(c1)F CSC011367676 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.9 CCCCNCc1ccc(cc1)Br CSC000196029 [0,1,1,0,0,0|1,0,0]=3 56 B13R1.9 CCCCNCc1ccc(cc1)C CSC000196039 [0,1,1,0,0,0|1,0,0]=3 57 B13R1.9 CCCCNCc1ccc(cc1)Cl CSC000196030 [0,1,1,0,0,0|1,0,0]=3 58 B13R1.9 CCCCNCc1ccc(cc1)F CSC000196033 [0,1,1,0,0,0|1,0,0]=3 59 B13R1.9 CNCCNCc1ccc(cc1)Br CSC013333344 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.9 COCCNCc1ccc(cc1)Br CSC000195702 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.9 COCCNCc1ccc(cc1)C CSC000195714 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.9 Cc1ccc(cc1)CNCCCO CSC000180846 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.9 OCCCNCc1ccc(cc1)Cl CSC000186999 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.9 OCCCNCc1ccc(cc1)F CSC000180847 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,1,1,0,0,0|1,0,0]=3 70 B13R1.24 CCCCNC(=O)c1cccnc1 CSC000002826 [0,1,1,0,0,0|0,0,1]=3 71 B13R1.24 COCCNC(=O)c1cccnc1 CSC000002680 [0,1,1,0,0,0|1,0,1]=4 72 B13R1.24 OCCCNC(=O)c1cccnc1 CSC000208339 [0,1,1,0,0,0|1,0,1]=4 73 B13R1.28 CCCCCCNc1ccccc1 CSC000219565 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.28 CCCCCNCc1ccccc1 CSC000180875 [0,1,1,0,0,0|1,0,0]=3 75 B13R1.28 CCCCCNCc1ccccn1 CSC000199920 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.28 CCCCCNCc1cccnc1 CSC000199921 [0,1,1,0,0,0|0,0,0]=2 77 B13R1.28 CCCCCNCc1ccncc1 CSC000186958 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.28 CCNCCNCc1ccccc1 CSC011556070 [0,1,1,0,0,0|1,0,0]=3 79 B13R1.28 CCOCCSCc1ccccc1 CSC000006442 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.28 CNCCCNCc1ccccc1 CSC000215872 [0,1,1,0,0,0|1,0,0]=3 81 B13R1.28 CNCCCNCc1ccccn1 CSC000216241 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.28 CNCCCNCc1cccnc1 CSC000215880 [0,1,1,0,0,0|0,0,0]=2 83 B13R1.28 CNCCCNCc1ccncc1 CSC000215879 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.28 COCCCNCc1ccccn1 CSC000200562 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.28 COCCCNCc1cccnc1 CSC000200564 [0,1,1,0,0,0|0,0,0]=2 86 B13R1.28 OCCCCNCc1ccccc1 CSC000186360 [0,1,1,0,0,0|1,0,0]=3 87 B13R1.28 OCCCCNCc1ccccn1 CSC011521226 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.28 OCCCCNCc1cccnc1 CSC000180861 [0,1,1,0,0,0|0,0,0]=2 89 B13R1.28 OCCCCNCc1ccncc1 CSC000187398 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [0,1,1,0,0,0|1,0,1]=4 91 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,1,1,0,0,0|1,0,0]=3 92 B13R1.42 CN(CCN)CCc1ccccc1 CSC011293287 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.42 CNCC(=O)NCc1cccnc1 CSC011243474 [0,1,1,0,0,0|1,0,1]=4 94 B13R1.42 COCC(=O)NCc1cccnc1 CSC000159098 [0,1,1,0,0,0|1,0,1]=4 95 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [0,1,1,0,0,0|1,0,0]=3 96 B13R1.44 CCCCS(=O)Cc1ccccc1 CSC019146419 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.44 NCCCC(=O)Nc1cccnc1 CSC011211775 [0,1,1,0,0,0|1,0,1]=4 98 B13R1.337 CC(C)CCNCc1ccccc1 CSC000196072 [0,1,1,0,0,0|1,0,0]=3 99 B13R1.337 CC(C)CCNCc1ccccn1 CSC000200824 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.337 CC(C)CCNCc1cccnc1 CSC000200826 [0,1,1,0,0,0|0,0,0]=2 101 B13R1.337 CC(C)CCNCc1ccncc1 CSC000200846 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.555 CCCCNCc1ccccc1C CSC000196038 [0,1,1,0,0,0|1,0,0]=3 103 B13R1.555 CNCCNCc1ccccc1Br CSC013333377 [0,1,1,0,0,0|2,0,0]=4 104 B13R1.555 COCCNCc1ccccc1C CSC000195713 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.555 COCCNCc1ccccc1Cl CSC000195700 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.555 COCCNCc1ccccc1F CSC000195720 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.555 Cc1ccccc1CNCCCN CSC011367679 [0,1,1,0,0,0|2,0,0]=4 108 B13R1.555 Cc1ccccc1CNCCCO CSC000196000 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.555 NCCCNCc1ccccc1Cl CSC011367663 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.555 OCCCNCc1ccccc1Cl CSC000195995 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.555 OCCCNCc1ccccc1F CSC000196003 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [0,1,1,0,0,0|1,0,1]=4 115 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [0,1,1,0,0,0|1,0,1]=4 116 B13R1.11 CCC(C)NC(=O)c1cccnc1 CSC000157897 [0,1,1,0,0,0|1,0,1]=4 117 B13R1.17 CC(NCCN)c1ccc(cc1)Br CSC011367360 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.17 CC(NCCN)c1ccc(cc1)I CSC011367598 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.17 CC(NCCO)c1ccc(cc1)F CSC000222785 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.18 CC(NCCN)c1cccc(c1)Br CSC011367362 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.18 CC(NCCO)c1cccc(c1)Cl CSC000713799 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.18 CCCNC(=O)c1cncc(c1)Br CSC000152275 [0,1,1,0,0,0|1,0,1]=4 123 B13R1.45 CC(C)CNC(=O)c1cccnc1 CSC000160764 [0,1,1,0,0,0|1,0,1]=4 124 B13R1.47 CC(N(C)CCO)c1cnccn1 CSC010279971 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.674 CC(NCCN)c1ccccc1Br CSC011367381 [0,1,1,0,0,0|2,0,0]=4 126 B13R2.10 Nc1nc(cs1)C2CCCCC2 CSC000183074 [0,1,0,0,1,0|2,0,0]=4 127 B13R2.10 O[C@@H]1CCN(C1)c2cnccn2 CSC012064627 [0,1,0,0,1,0|2,0,0]=4 128 B13R2.10 O[C@H]1CCN(C1)c2cnccn2 CSC012056722 [0,1,0,0,1,0|2,0,0]=4 129 B13R2.13 Brc1cncc(c1)N2CCCC2 CSC011949850 [0,1,0,0,1,0|1,0,0]=3 130 B15R2.29 CC1CCN(CC1)Cc2cccnc2 CSC037883808 [0,1,0,0,0,1|2,0,0]=4 131 B15R2.29 NC1CCN(CC1)Cc2cccnc2 CSC000705064 [0,1,0,0,0,1|2,0,0]=4 132 B15R2.31 Brc1cncc(c1)NC2CCCNC2 CSC014501579 [0,1,0,0,0,1|2,0,0]=4 133 B15R2.31 CC1CCCN(C1)Cc2cccnc2 CSC038098323 [0,1,0,0,0,1|2,0,0]=4 134 B15R2.31 NC1CCCN(C1)Cc2cccnc2 CSC011448100 [0,1,0,0,0,1|2,0,0]=4 135 B15R2.38 CC1CCCCN1Cc2cccnc2 CSC046513986 [0,1,0,0,0,1|2,0,0]=4 136 B15R2.2226 O=C(N1CCCCC1)c2cccnc2 CSC000157689 [0,1,0,0,0,1|2,0,0]=4 137 B15R2.7124 Brc1cncc(c1)N2CCCNCC2 CSC013486316 [0,1,0,0,0,1|2,0,0]=4 138 B15R2.7124 Brc1cncc(c1)N2CCCOCC2 CSC012464280 [0,1,0,0,0,1|2,0,0]=4 139 B15R2.28 NC1CCN(CC1)c2cncc(c2)Br CSC012347740 [0,2,0,0,0,0|2,0,0]=4 140 B15R2.28 OC1CCN(CC1)c2cncc(c2)Br CSC011949936 [0,2,0,0,0,0|2,0,0]=4 141 B15R2.30 FC1CCCN(C1)c2cncc(c2)Br CSC019750940 [0,2,0,0,0,0|2,0,0]=4 142 B15R2.30 NC1CCCN(C1)c2cncc(c2)Br CSC014501552 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.30 N[C@@H]1CCCN(C1)c2cncc(c2)Br CSC014501648 [0,2,0,0,0,0|2,0,0]=4 144 B15R2.30 OC1CCCN(C1)c2cncc(c2)Br CSC011949910 [0,2,0,0,0,0|2,0,0]=4 145 B15R2.30 O[C@H]1CCCN(C1)c2cncc(c2)Br CSC046925890 [0,2,0,0,0,0|2,0,0]=4 146 B15R2.21 N#Cc1ncccc1N2CCCCC2 CSC011934844 [0,2,0,0,0,0|2,0,0]=4 147 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,1,1,0,0|1,0,0]=3 148 B13R2.64 C(N1CCCC1)c2ccccn2 CSC011191286 [0,0,1,1,0,0|2,0,0]=4 149 B13R2.64 C(N1CCCC1)c2cccnc2 CSC011191287 [0,0,1,1,0,0|0,0,0]=2 150 B13R2.2382 C(NCc1ccccc1)C2CC2 CSC000186374 [0,0,1,1,0,0|1,0,0]=3 151 B13R2.690 CC(NC1CC1)c2cnccn2 CSC012027743 [0,0,1,1,0,0|1,0,0]=3 152 B13R2.690 O=C(NC1CC1)c2cccnc2 CSC000160621 [0,0,1,1,0,0|1,0,1]=4 153 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,0,1,0,1,0|1,0,0]=3 154 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,0,1,0,1,0|1,0,0]=3 155 B11R1.4 CCCCNCc1ccsc1 CSC000200702 [0,0,1,0,1,0|1,0,0]=3 156 B11R1.4 COCCNCc1ccsc1 CSC000200155 [0,0,1,0,1,0|2,0,0]=4 157 B11R1.4 COCCNCc1nccs1 CSC011447500 [0,0,1,0,1,0|2,0,0]=4 158 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,0,1,0,1,0|2,0,0]=4 159 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,0,1,0,1,0|2,0,0]=4 160 B11R1.4 OCCCNCc1ccsc1 CSC000200639 [0,0,1,0,1,0|2,0,0]=4 161 B11R1.29 CC(NCCN)c1ccco1 CSC011203454 [0,0,1,0,1,0|2,0,0]=4 162 B11R1.29 CC(NCCO)c1nccs1 CSC012004386 [0,0,1,0,1,0|2,0,0]=4 163 B15R2.2167 C(N1CCCCCC1)c2cccnc2 CSC011210951 [0,0,0,0,0,2|2,0,0]=4 164 B15R2.2167 C(N1CCCNCC1)c2cccnc2 CSC000246768 [0,0,0,0,0,2|2,0,0]=4 165 B15R2.2195 C(NC1CCCCC1)c2ccccc2 CSC000180857 [0,0,0,0,0,2|2,0,0]=4 166 B15R2.2195 C(NC1CCCCC1)c2cccnc2 CSC000187047 [0,0,0,0,0,2|1,0,0]=3 167 B15R2.2195 C(NC1CCOCC1)c2cccnc2 CSC000714591 [0,0,0,0,0,2|2,0,0]=4 168 B15R2.2195 C(NC1CCSCC1)c2cccnc2 CSC000200805 [0,0,0,0,0,2|2,0,0]=4 169 B15R2.2195 C(SC1CCCCC1)c2ccccc2 CSC000006807 [0,0,0,0,0,2|2,0,0]=4 170 B15R2.2195 C(SC1CCCCC1)c2cccnc2 CSC015570687 [0,0,0,0,0,2|1,0,0]=3