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62a_100009893172_100016991246 [0,0,0,0,0,0|1,0,2]=3 11 B15R0.110 CC(=CCC/C(=C/CSC(C)CCO)/C)C 62a_100016991246_100009893172 [0,0,0,0,0,0|1,0,2]=3 12 B15R0.110 CC(=CCC/C(=C\COC(C)CCO)/C)C 34a_100016990311_100009893172 [0,0,0,0,0,0|1,0,2]=3 13 B15R0.110 CC(=CCC/C(=C\COC(C)CCO)/C)C 7a_100016990311_100009893172 [0,0,0,0,0,0|1,0,2]=3 14 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210699 [0,0,0,0,0,0|3,0,1]=4 15 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210699 [0,0,0,0,0,0|3,0,1]=4 16 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000211992 [0,0,0,0,0,0|3,0,1]=4 17 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000211992 [0,0,0,0,0,0|3,0,1]=4 18 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000211992 [0,0,0,0,0,0|3,0,1]=4 19 B15R0.110 CCCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000741246_100016991246 [0,0,0,0,0,0|2,0,2]=4 20 B15R0.110 CCCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000766640 [0,0,0,0,0,0|2,0,2]=4 21 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512a_100015525214_200020676162 [0,0,0,0,0,0|4,0,0]=4 32 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100015525214 [0,0,0,0,0,0|4,0,0]=4 33 B15R0.110 CCNC(C)CCC=C(C)CCC=C(C)C 270004a_100015525214_100020644987 [0,0,0,0,0,0|2,0,1]=3 34 B14R0.2 CC(=CCC/C(=C/CNCCCO)/C)C 2230a_200020676162_100000230001 [1,0,0,0,0,0|1,0,2]=4 35 B14R0.2 CC(=CCC/C(=C/CNCCCO)/C)C 34a_200020676162_100000230001 [1,0,0,0,0,0|1,0,2]=4 36 B14R0.2 CC(=CCC/C(=C/CSCCCO)/C)C 62a_100011215043_100016991246 [1,0,0,0,0,0|1,0,2]=4 37 B14R0.2 CC(=CCC/C(=C/CSCCCO)/C)C 62a_100016991246_100011215043 [1,0,0,0,0,0|1,0,2]=4 38 B14R0.2 CC(=CCC/C(=C\COCCCO)/C)C 34a_100016990311_100000230001 [1,0,0,0,0,0|1,0,2]=4 39 B14R0.2 CC(=CCC/C(=C\COCCCO)/C)C 7a_100016990311_100011215043 [1,0,0,0,0,0|1,0,2]=4 40 B14R0.2 CC/C=C\CCOC(C)CCC=C(C)C 34a_100102619829_100015370543 [1,0,0,0,0,0|2,0,1]=4 41 B14R0.2 CC/C=C\CCOC(C)CCC=C(C)C 7a_100102619829_100015370543 [1,0,0,0,0,0|2,0,1]=4 42 B14R0.304 C=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185746 [1,0,0,0,0,0|2,0,1]=4 43 B14R0.304 C=CC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000695699_100016991246 [1,0,0,0,0,0|1,0,2]=4 44 B14R0.304 C=CC(C)SC/C=C(\C)/CCC=C(C)C 62a_100011215867_100016991246 [1,0,0,0,0,0|1,0,2]=4 45 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [1,0,0,0,0,0|2,0,0]=3 46 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 2230a_200020676162_100012180447 [1,0,0,0,0,0|1,0,1]=3 47 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 34a_200020676162_100012180447 [1,0,0,0,0,0|1,0,1]=3 48 B14R0.304 CC(=CCC/C(=C/CN[C@H](C)CO)/C)C 2230a_100000737577_100016991246 [1,0,0,0,0,0|1,0,1]=3 49 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 34a_100016041109_100016991246 [1,0,0,0,0,0|2,0,1]=4 50 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 7a_100016041109_100016991246 [1,0,0,0,0,0|2,0,1]=4 51 B14R0.304 CC(=CCC/C(=C/COC(C)CN)/C)C 34a_100000210904_100016991246 [1,0,0,0,0,0|2,0,1]=4 52 B14R0.304 CC(=CCC/C(=C/CSC(C)CO)/C)C 62a_100012180447_100016991246 [1,0,0,0,0,0|1,0,1]=3 53 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016084084_100016991246 [1,0,0,0,0,0|1,0,1]=3 54 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016991246_100016084084 [1,0,0,0,0,0|1,0,1]=3 55 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 34a_100016990311_100012180447 [1,0,0,0,0,0|1,0,1]=3 56 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 7a_100016990311_100012180447 [1,0,0,0,0,0|1,0,1]=3 57 B14R0.304 CC(=CCCC(C)NCCC(C)CO)C 270004a_106354213184_100000765506 [1,0,0,0,0,0|1,0,2]=4 58 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [1,0,0,0,0,0|2,0,1]=4 59 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [1,0,0,0,0,0|2,0,1]=4 60 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [1,0,0,0,0,0|2,0,1]=4 61 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000209981_100016991246 [1,0,0,0,0,0|1,0,2]=4 62 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000758301 [1,0,0,0,0,0|1,0,2]=4 63 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011215416 [1,0,0,0,0,0|1,0,2]=4 64 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011215416 [1,0,0,0,0,0|1,0,2]=4 65 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000758301 [1,0,0,0,0,0|1,0,2]=4 66 B14R0.304 CCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000210228_100016991246 [1,0,0,0,0,0|1,0,2]=4 67 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [1,0,0,0,0,0|3,0,0]=4 68 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [1,0,0,0,0,0|3,0,0]=4 69 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [1,0,0,0,0,0|3,0,0]=4 70 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [1,0,0,0,0,0|3,0,0]=4 71 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [1,0,0,0,0,0|3,0,0]=4 72 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [1,0,0,0,0,0|3,0,0]=4 73 B14R0.304 CNC(C)CCC=C(C)CCC=C(C)C 270004a_106832991635_100020644987 [1,0,0,0,0,0|1,0,1]=3 74 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100009879195_100016991246 [1,0,0,0,0,0|2,0,1]=4 75 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009879195 [1,0,0,0,0,0|2,0,1]=4 76 B16R0.100 CC(=CCCC(=CC(=O)CC(=O)NCO)C)C 1458a_100016995320_100000185155 [0,1,0,0,0,0|2,0,1]=4 77 B16R0.102 CCC(=O)C(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000742827 [0,1,0,0,0,0|2,0,1]=4 78 B16R0.102 CCC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000742827 [0,1,0,0,0,0|2,0,1]=4 79 B16R0.102 CCC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100000742827_100016991246 [0,1,0,0,0,0|2,0,1]=4 80 B16R0.102 CCC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000742827 [0,1,0,0,0,0|2,0,1]=4 81 B16R0.130 C=CCNC(C)CCC=C(C)CCC=C(C)C 270004a_100020586998_100020644987 [0,1,0,0,0,0|2,0,1]=4 82 B16R0.130 CC(=CCC/C(=C/CNC(=O)NCCO)/C)C 2708a_200020676162_100000210304 [0,1,0,0,0,0|2,0,1]=4 83 B16R0.130 CC(=CCC/C(=C/CNC(=O)NCCO)/C)C 273464a_100000210304_200020676162 [0,1,0,0,0,0|2,0,1]=4 84 B16R0.130 CC(=CCC/C(=C/CNC(=O)NCCO)/C)C 273464a_200020676162_100000210304 [0,1,0,0,0,0|2,0,1]=4 85 B16R0.130 CC(=CCC/C(=C/CNC(=O)NCCO)/C)C 512a_200020676162_100000210304 [0,1,0,0,0,0|2,0,1]=4 86 B16R0.130 CC(=CCCC(=CCCC(C)NCCO)C)C 270004a_100000210304_100020644987 [0,1,0,0,0,0|0,0,2]=3 87 B16R0.130 CCC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000212282 [0,1,0,0,0,0|3,0,0]=4 88 B16R0.130 CCC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000212282 [0,1,0,0,0,0|3,0,0]=4 89 B16R0.130 CCCNC(C)CCC=C(C)CCC=C(C)C 270004a_100020643023_100020644987 [0,1,0,0,0,0|1,0,2]=4 90 B16R0.130 CCNN=C(C)CCC=C(C)CCC=C(C)C 4a_100000756455_100020644987 [0,1,0,0,0,0|2,0,0]=3 91 B16R0.130 CNC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 2230a_106832991635_200025764062 [0,1,0,0,0,0|1,0,0]=2 92 B16R0.130 CNC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 34a_100102657272_200025764062 [0,1,0,0,0,0|1,0,0]=2 93 B16R0.130 CNC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 7a_106832991635_200025764062 [0,1,0,0,0,0|1,0,0]=2 94 B16R0.130 COC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100016268678 [0,1,0,0,0,0|2,0,1]=4 95 B16R0.130 COCCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000749529 [0,1,0,0,0,0|2,0,1]=4 96 B16R0.130 COCCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000749529 [0,1,0,0,0,0|2,0,1]=4 97 B16R0.130 COCCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000749529 [0,1,0,0,0,0|2,0,1]=4 98 B16R0.130 COCCC(C)NC/C=C(\C)/CCC=C(C)C 270004a_200020676162_100000742357 [0,1,0,0,0,0|1,0,2]=4 99 B16R0.4884 CC(=CCC/C(=C/CN(C)C(C)CCO)/C)C 2230a_100000731037_100016991246 [0,1,0,0,0,0|1,0,2]=4 100 B16R0.4884 CC(=CCC/C(=C/CN(C)C(C)CCO)/C)C 269982a_100000731037_100016991246 [0,1,0,0,0,0|1,0,2]=4 101 B16R0.4884 CC/C=C(\C)/C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100016988807_100016991246 [0,1,0,0,0,0|1,0,1]=3 102 B16R1.11155 CC(=CCC/C(=C/CN[C@H]1C[C@@H](C1)O)/C)C 2230a_100020629032_100016991246 [0,0,0,1,0,0|1,0,2]=4 103 B16R1.12527 CC(=CCC/C(=C/CNC1CCOC1)/C)C 2230a_200020676162_100000731011 [0,0,0,1,0,0|1,0,2]=4 104 B16R1.12527 CC(=CCC/C(=C/CNC1CCOC1)/C)C 270004a_200020676162_100000752484 [0,0,0,1,0,0|1,0,2]=4 105 B16R1.12527 CC(=CCC/C(=C/CNC1CCOC1)/C)C 34a_200020676162_100000690089 [0,0,0,1,0,0|1,0,2]=4 106 B16R1.12527 CC(=CCC/C(=C/CN[C@@H]1CCOC1)/C)C 2230a_200015188469_100016991246 [0,0,0,1,0,0|1,0,2]=4 107 B16R1.12527 CC(=CCC/C(=C/CN[C@H]1CCOC1)/C)C 2230a_100015188467_100016991246 [0,0,0,1,0,0|1,0,2]=4 108 B16R1.12527 CC(=CCC/C(=C/CN[C@H]1CCOC1)/C)C 34a_100015188467_100016991246 [0,0,0,1,0,0|1,0,2]=4 109 B16R1.12527 CC(=CCC/C(=C/CO[C@H]1CCOC1)/C)C 34a_100000717292_100016991246 [0,0,0,1,0,0|1,0,2]=4 110 B16R1.12527 CC(=CCC/C(=C/CSC1CCOC1)/C)C 62a_100016991246_100000690089 [0,0,0,1,0,0|1,0,2]=4 111 B16R1.12527 CC(=CCC/C(=C/CSc1ccon1)/C)C 62a_100009818083_100016991246 [0,0,0,1,0,0|2,0,1]=4 112 B16R1.12527 CC(=CCC/C(=C/CSc1ccon1)/C)C 62a_100016991246_100009818083 [0,0,0,1,0,0|2,0,1]=4 113 B16R1.12527 CC(=CCC/C(=C/CSc1cnoc1)/C)C 62a_100009815712_100016991246 [0,0,0,1,0,0|2,0,1]=4 114 B16R1.12527 CC(=CCC/C(=C/CSc1cnoc1)/C)C 62a_100016991246_100009815712 [0,0,0,1,0,0|2,0,1]=4 115 B16R1.12527 CC(=CCC/C(=C\COC1CCOC1)/C)C 34a_100016990311_100000690089 [0,0,0,1,0,0|1,0,2]=4 116 B16R1.12527 CC(=CCC/C(=C\COC1CCOC1)/C)C 7a_100016990311_100000731011 [0,0,0,1,0,0|1,0,2]=4 117 B16R1.57979 CC(=CCC/C(=C/CNC(=O)C1CO1)/C)C 11a_200020676162_100000701028 [0,0,0,1,0,0|2,0,1]=4 118 B16R1.57979 CC(=CCC/C(=C/CNC(=O)C1CO1)/C)C 1626a_200020676162_100000701028 [0,0,0,1,0,0|2,0,1]=4 119 B16R1.57979 CC(=CCC/C(=C/CNC(=O)C1CO1)/C)C 527a_200020676162_100000701028 [0,0,0,1,0,0|2,0,1]=4 120 B16R1.57979 CC(=CCC/C(=C/CNC(C)C1CO1)/C)C 270004a_200020676162_100000031964 [0,0,0,1,0,0|1,0,2]=4 121 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CBr)/C)C 1458a_100016273825_100016991246 [0,0,0,0,1,0|2,0,1]=4 122 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CCl)/C)C 1458a_200016279998_100016991246 [0,0,0,0,1,0|2,0,1]=4 123 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CI)/C)C 1458a_100016256311_100016991246 [0,0,0,0,1,0|2,0,1]=4 124 B14R0.431 CC(=CCC/C(=C/CC(=O)CCO)/C)C 1458a_100011216618_100016991246 [0,0,0,0,1,0|1,0,1]=3 125 B14R0.431 CC(=CCC/C(=C/CN(C)CCO)/C)C 2230a_100000210263_100016991246 [0,0,0,0,1,0|1,0,1]=3 126 B14R0.431 CC(=CCC/C(=C/CN(C)CCO)/C)C 269982a_100000210263_100016991246 [0,0,0,0,1,0|1,0,1]=3 127 B14R0.431 CC(=CCCC(C)CCC(=O)CCO)C 1458a_100011216618_100009814015 [0,0,0,0,1,0|1,0,2]=4 128 B14R0.431 CC(=CCCC(C)CCN(C)CCO)C 2230a_100000210263_100009814015 [0,0,0,0,1,0|1,0,2]=4 129 B14R0.431 CC(=CCCC(C)CCN(C)CCO)C 269982a_100000210263_100009814015 [0,0,0,0,1,0|1,0,2]=4 130 B14R0.431 CC(=CCCC(C)CCN(C)CCO)C 270004a_100000210263_100000212096 [0,0,0,0,1,0|1,0,2]=4 131 B14R0.431 CC=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210699_100016991246 [0,0,0,0,1,0|2,0,1]=4 132 B14R0.431 CCCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000211992_100016991246 [0,0,0,0,1,0|2,0,1]=4 133 B14R0.431 CCCN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000747261_100016991246 [0,0,0,0,1,0|2,0,1]=4 134 B14R0.431 CCCN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000747261_100016991246 [0,0,0,0,1,0|2,0,1]=4 135 B16R0.40 CC(=CCC/C(=C/CNCC(=O)NCO)/C)C 2230a_200020676162_100000185155 [0,0,0,0,0,1|2,0,0]=3 136 B16R0.40 CC(=CCC/C(=C/CNCC(=O)NCO)/C)C 34a_200020676162_100000185155 [0,0,0,0,0,1|2,0,0]=3 137 B16R0.40 CC(=CCC/C(=C/COCC(C)CCN)/C)C 34a_106354213184_100016991246 [0,0,0,0,0,1|1,0,2]=4 138 B16R0.40 CC(=CCC/C(=C/CSCC(=O)NCO)/C)C 62a_100000185155_100016991246 [0,0,0,0,0,1|2,0,0]=3 139 B16R0.40 CC(=CCC/C(=C/CSCC(=O)NCO)/C)C 62a_100016991246_100000185155 [0,0,0,0,0,1|2,0,0]=3 140 B16R0.40 CC(=CCC/C(=C\COCC(=O)NCO)/C)C 34a_100016990311_100000185155 [0,0,0,0,0,1|2,0,0]=3 141 B16R0.40 CC(=CCC/C(=C\COCC(=O)NCO)/C)C 7a_100016990311_100000185155 [0,0,0,0,0,1|2,0,0]=3 142 B16R0.40 CCCC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000747444 [0,0,0,0,0,1|2,0,1]=4 143 B16R0.40 CCCC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747444 [0,0,0,0,0,1|2,0,1]=4 144 B16R0.40 CCCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747444_100016991246 [0,0,0,0,0,1|2,0,1]=4 145 B16R0.40 CCCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747444 [0,0,0,0,0,1|2,0,1]=4 146 B16R0.40 CCCC(C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100011216630 [0,0,0,0,0,1|1,0,2]=4 147 B16R0.40 CCCC(C)CNC/C=C(\C)/CCC=C(C)C 270004a_200020676162_100000243154 [0,0,0,0,0,1|1,0,2]=4 148 B16R0.40 CCCC(C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011216630 [0,0,0,0,0,1|1,0,2]=4 149 B16R0.40 CCNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_100016988866_100016991246 [0,0,0,0,0,1|3,0,0]=4 150 B16R0.40 CCNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000183381 [0,0,0,0,0,1|3,0,0]=4 151 B16R0.40 CCNC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000183381 [0,0,0,0,0,1|3,0,0]=4 152 B16R0.40 CCNC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000183381 [0,0,0,0,0,1|3,0,0]=4 153 B16R0.40 CCNC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000183381 [0,0,0,0,0,1|3,0,0]=4 154 B16R0.40 CCNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000183381_100016991246 [0,0,0,0,0,1|3,0,0]=4 155 B16R0.40 CCNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000183381 [0,0,0,0,0,1|3,0,0]=4 156 B16R0.40 CCOC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000188475 [0,0,0,0,0,1|3,0,0]=4 157 B16R0.40 CCOC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000188475 [0,0,0,0,0,1|3,0,0]=4 158 B16R0.40 CCOC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000188475 [0,0,0,0,0,1|3,0,0]=4 159 B16R0.40 CCOC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000188475 [0,0,0,0,0,1|3,0,0]=4 160 B16R0.40 CCOC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000188475_100016991246 [0,0,0,0,0,1|3,0,0]=4 161 B16R0.40 CCOC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000188475 [0,0,0,0,0,1|3,0,0]=4 162 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_100016997473_100016991246 [2,0,0,0,0,0|1,0,1]=4 163 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_200020676162_100000211926 [2,0,0,0,0,0|1,0,1]=4 164 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_100016990907_100016991246 [2,0,0,0,0,0|1,0,1]=4 165 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_200020676162_100000211926 [2,0,0,0,0,0|1,0,1]=4 166 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100000211926_100016991246 [2,0,0,0,0,0|1,0,1]=4 167 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100016991246_100000211926 [2,0,0,0,0,0|1,0,1]=4 168 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 34a_100016990311_100000211926 [2,0,0,0,0,0|1,0,1]=4 169 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 7a_100016990311_100000211926 [2,0,0,0,0,0|1,0,1]=4 170 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000730704 [2,0,0,0,0,0|1,0,1]=4 171 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000730704 [2,0,0,0,0,0|1,0,1]=4 172 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_100138425928_100016991246 [2,0,0,0,0,0|1,0,1]=4 173 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_200020676162_100000210206 [2,0,0,0,0,0|1,0,1]=4 174 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_100138425928_100016991246 [2,0,0,0,0,0|1,0,1]=4 175 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_200020676162_100000210206 [2,0,0,0,0,0|1,0,1]=4 176 B13R0.1398 CC(=CCC/C(=C/COC(C)C)/C)C 34a_100000212225_100016991246 [2,0,0,0,0,0|1,0,1]=4 177 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100000210206_100016991246 [2,0,0,0,0,0|1,0,1]=4 178 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100016991246_100000210206 [2,0,0,0,0,0|1,0,1]=4 179 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 34a_100016990311_100000210206 [2,0,0,0,0,0|1,0,1]=4 180 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 7a_100016990311_100000210206 [2,0,0,0,0,0|1,0,1]=4 181 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [2,0,0,0,0,0|1,0,1]=4 182 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [2,0,0,0,0,0|1,0,1]=4 183 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [2,0,0,0,0,0|1,0,1]=4 184 B15R0.367 CC(=CCC/C(=C/CNCC#CCO)/C)C 2230a_200020676162_200000047223 [1,1,0,0,0,0|0,0,2]=4 185 B15R0.367 CC(=CCC/C(=C/CNCC#CCO)/C)C 34a_200020676162_200000047223 [1,1,0,0,0,0|0,0,2]=4 186 B15R0.367 CC(=CCC/C(=C/CNCCCCO)/C)C 2230a_100000750430_100016991246 [1,1,0,0,0,0|0,0,2]=4 187 B15R0.367 CC(=CCC/C(=C/CNCCCCO)/C)C 2230a_200020676162_100000210776 [1,1,0,0,0,0|0,0,2]=4 188 B15R0.367 CC(=CCC/C(=C/CNCCCCO)/C)C 34a_100000750430_100016991246 [1,1,0,0,0,0|0,0,2]=4 189 B15R0.367 CC(=CCC/C(=C/CNCCCCO)/C)C 34a_200020676162_100011216708 [1,1,0,0,0,0|0,0,2]=4 190 B15R0.367 CC(=CCC/C(=C/CSCC#CCO)/C)C 62a_100016991246_200000047223 [1,1,0,0,0,0|0,0,2]=4 191 B15R0.367 CC(=CCC/C(=C/CSCC#CCO)/C)C 62a_200000047223_100016991246 [1,1,0,0,0,0|0,0,2]=4 192 B15R0.367 CC(=CCC/C(=C/CSCCCCO)/C)C 62a_100000210776_100016991246 [1,1,0,0,0,0|0,0,2]=4 193 B15R0.367 CC(=CCC/C(=C/CSCCCCO)/C)C 62a_100016991246_100000210776 [1,1,0,0,0,0|0,0,2]=4 194 B15R0.367 CC(=CCC/C(=C\COCC#CCO)/C)C 34a_100016990311_200000047223 [1,1,0,0,0,0|0,0,2]=4 195 B15R0.367 CC(=CCC/C(=C\COCC#CCO)/C)C 7a_100016990311_200000047223 [1,1,0,0,0,0|0,0,2]=4 196 B15R0.367 CC(=CCC/C(=C\COCCCCO)/C)C 34a_100016990311_100011216708 [1,1,0,0,0,0|0,0,2]=4 197 B15R0.367 CC(=CCC/C(=C\COCCCCO)/C)C 7a_100016990311_100000210776 [1,1,0,0,0,0|0,0,2]=4 198 B15R0.367 CC/C=C\CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100103147603 [1,1,0,0,0,0|1,0,0]=3 199 B15R0.367 CC/C=C\CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100103147603 [1,1,0,0,0,0|1,0,0]=3 200 B15R0.367 CC/C=C\COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100103147603 [1,1,0,0,0,0|1,0,0]=3 201 B15R0.367 CC/C=C\COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100103147603 [1,1,0,0,0,0|1,0,0]=3 202 B15R0.367 CC/C=C\COC/C=C(\C)/CCC=C(C)C 34a_100016268518_100016991246 [1,1,0,0,0,0|1,0,0]=3 203 B15R0.371 CC/C=C\CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100103147603 [1,1,0,0,0,0|1,0,1]=4 204 B15R0.3451 CCC=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000212282_100016991246 [1,1,0,0,0,0|1,0,1]=4 205 B15R0.303 CC(=CCCC(=CC(=O)C[C@@H](C)CO)C)C 1458a_100016995320_100000059175 [1,1,0,0,0,0|0,0,2]=4 206 B15R0.331 CC(=CCC/C(=C/CNC(C)(C)CO)/C)C 2230a_100000210608_100016991246 [1,1,0,0,0,0|1,0,1]=4 207 B15R0.1697 C/C=C(\C)/C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100020587367_100016991246 [1,1,0,0,0,0|0,0,1]=3 208 B15R0.1697 CC(=CCC/C(=C/CN(C)C(C)CO)/C)C 2230a_100000693034_100016991246 [1,1,0,0,0,0|1,0,1]=4 209 B15R0.1697 CC(=CCC/C(=C/CN(C)C(C)CO)/C)C 269982a_100000693034_100016991246 [1,1,0,0,0,0|1,0,1]=4 210 B15R0.1746 CC(=CCC/C(=C/CNC(CO)CO)/C)C 2230a_100000759517_100016991246 [1,1,0,0,0,0|1,0,1]=4 211 B15R0.1746 CC[C@@H](CO)NC/C=C(\C)/CCC=C(C)C 2230a_100000709445_100016991246 [1,1,0,0,0,0|1,0,1]=4 212 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000185857 [1,1,0,0,0,0|2,0,0]=4 213 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185857 [1,1,0,0,0,0|2,0,0]=4 214 B15R0.2722 CC(=CCC/C(=C/CNC(=O)[C@H](C)O)/C)C 1626a_200020676162_217856618621 [1,1,0,0,0,0|2,0,0]=4 215 B15R0.2722 CC(=CCC/C(=C/CN[C@@H](C)C(=O)O)/C)C 269956a_100000743915_100016991246 [1,1,0,0,0,0|1,0,1]=4 216 B15R0.2722 CC(=CCCC(=CCCC(C)N(C)C)C)C 270004a_100102631434_100020644987 [1,1,0,0,0,0|1,0,1]=4 217 B15R0.2722 CC(=O)C(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009814033 [1,1,0,0,0,0|1,0,1]=4 218 B15R0.2722 CC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000179758 [1,1,0,0,0,0|1,0,1]=4 219 B15R0.2722 CC(=O)C(C)OC/C=C(\C)/CCC=C(C)C 34a_100000212229_100016991246 [1,1,0,0,0,0|1,0,1]=4 220 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100009814033_100016991246 [1,1,0,0,0,0|1,0,1]=4 221 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009814033 [1,1,0,0,0,0|1,0,1]=4 222 B15R0.2721 CC(=CCC/C(=C/CC(=O)C[C@@H](C)O)/C)C 1458a_100011933948_100016991246 [0,1,0,0,1,0|1,0,1]=4 223 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)O)/C)C 2230a_100000227577_100016991246 [0,1,0,0,1,0|1,0,1]=4 224 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)O)/C)C 269982a_100000227577_100016991246 [0,1,0,0,1,0|1,0,1]=4 225 B15R0.3211 CCN(C/C=C(\C)/CCC=C(C)C)CCO 2230a_100000210973_100016991246 [0,1,0,0,1,0|1,0,1]=4 226 B15R0.3211 CCN(C/C=C(\C)/CCC=C(C)C)CCO 269982a_100000210973_100016991246 [0,1,0,0,1,0|1,0,1]=4 227 B17R0.169 C=C(CNC/C=C(\C)/CCC=C(C)C)OCOC 34a_200020676162_100000042856 [0,1,0,0,0,1|1,0,1]=4 228 B17R0.169 C=C(COC/C=C(/C)\CCC=C(C)C)OCOC 34a_100016990311_100000042856 [0,1,0,0,0,1|1,0,1]=4 229 B17R0.169 C=C(CSC/C=C(\C)/CCC=C(C)C)OCOC 62a_100000042856_100016991246 [0,1,0,0,0,1|1,0,1]=4 230 B17R0.169 C=C(CSC/C=C(\C)/CCC=C(C)C)OCOC 62a_100016991246_100000042856 [0,1,0,0,0,1|1,0,1]=4 231 B17R0.169 CC(=CCC/C(=C/CNC[C@H](C)CCCO)/C)C 2230a_100160569302_100016991246 [0,1,0,0,0,1|0,0,2]=4 232 B17R0.169 CC(=CCC/C(=C/CNC[C@H](C)CCCO)/C)C 34a_100160569302_100016991246 [0,1,0,0,0,1|0,0,2]=4 233 B17R0.169 COCO[C@H](C)COC/C=C(\C)/CCC=C(C)C 34a_100016172286_100016991246 [0,1,0,0,0,1|1,0,1]=4 234 B17R0.169 COCO[C@H](C)COC/C=C(\C)/CCC=C(C)C 7a_100016172286_100016991246 [0,1,0,0,0,1|1,0,1]=4 235 B17R0.223 CC(=CCCC(=CCCC(C)N(C)CCO)C)C 270004a_100000210263_100020644987 [0,1,0,0,0,1|1,0,1]=4 236 B17R0.223 CC/C=C(\C)/C(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100016988807 [0,1,0,0,0,1|1,0,1]=4 237 B17R0.223 CC/C=C(\C)/C(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100016988807 [0,1,0,0,0,1|1,0,1]=4 238 B17R0.223 CC/C=C(\C)/C(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100016988807 [0,1,0,0,0,1|1,0,1]=4 239 B17R0.6068 CC(=CCC/C(=C/CSC[N+](C)(C)CCO)/C)C 62a_100016991246_200010270792 [0,1,0,0,0,1|1,0,1]=4 240 B17R0.6068 CC(=CCC/C(=C/CSC[N+](C)(C)CCO)/C)C 62a_200010270792_100016991246 [0,1,0,0,0,1|1,0,1]=4 241 B17R0.6068 CC(=CCC/C(=C\COC[N+](C)(C)CCO)/C)C 7a_100016990311_200010270792 [0,1,0,0,0,1|1,0,1]=4 242 B17R0.59 CC(=CCCC(=CCCC(C)N[C@H](C)CO)C)C 270004a_100000737577_100020644987 [0,2,0,0,0,0|0,0,2]=4 243 B17R0.178 CC(=CCCC(=CCCC(=NNCCO)C)C)C 4a_100000210001_100020644987 [0,2,0,0,0,0|0,0,1]=3 244 B17R0.178 CC(=CCCC(=CCCC(C)NCCCO)C)C 270004a_100000182051_100020644987 [0,2,0,0,0,0|0,0,2]=4 245 B17R0.178 CCCNN=C(C)CCC=C(C)CCC=C(C)C 4a_100000740057_100020644987 [0,2,0,0,0,0|1,0,1]=4 246 B17R0.178 COCC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100016285016 [0,2,0,0,0,0|2,0,0]=4 247 B17R0.178 COCC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100016285016 [0,2,0,0,0,0|2,0,0]=4 248 B17R0.178 COCCNC(C)CCC=C(C)CCC=C(C)C 270004a_100000209980_100020644987 [0,2,0,0,0,0|0,0,2]=4 249 B17R0.1608 CC(=CCC/C(=C/CC/C(=C/CN(C)C)/C)/C)C 2230a_100102631434_200025764062 [0,2,0,0,0,0|1,0,0]=3 250 B17R0.1608 CC(=CCC/C(=C/CC/C(=C/CN(C)C)/C)/C)C 269982a_100102631434_200025764062 [0,2,0,0,0,0|1,0,0]=3 251 B17R0.1608 CC(=CCCC(=CCCC(=NNC(C)C)C)C)C 4a_100000741168_100020644987 [0,2,0,0,0,0|2,0,0]=4 252 B17R0.1608 CC(=CCCC(=CCCC(C)NCC(C)O)C)C 270004a_100000210904_100020644987 [0,2,0,0,0,0|0,0,2]=4 253 B15R1.882 CC(=CCCC(=O)C1CC=C(CC1)C)C 1458a_100000137427_100011217483 [1,0,0,1,0,0|1,0,1]=4 254 B15R1.882 CC(=CCCC(C)N1CC=C(CC1)C)C 270004a_100000693516_100000765506 [1,0,0,1,0,0|1,0,1]=4 255 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)O)/C)C 269982a_100000749847_100016991246 [0,0,0,1,1,0|1,0,1]=4 256 B15R1.23937 CC(=CCC/C(=C/CC(=O)C1CO1)/C)C 1458a_100000701028_100016991246 [0,0,0,1,1,0|1,0,1]=4 257 B17R1.14297 CC(=CCC/C(=C/CNCC1CC(C1)O)/C)C 2230a_100016992100_100016991246 [0,0,0,1,0,1|0,0,2]=4 258 B17R1.14359 CC(=CCC/C(=C/CN1CCC=C(C1)C)/C)C 2230a_100000725631_100016991246 [0,0,0,1,0,1|1,0,0]=3 259 B17R1.14359 CC(=CCC/C(=C/CN1CCC=C(C1)C)/C)C 269982a_100000725631_100016991246 [0,0,0,1,0,1|1,0,0]=3 260 B17R1.14359 CC(=CCC/C(=C/CN1CCC=C(C1)C)/C)C 34a_100000725631_100016991246 [0,0,0,1,0,1|1,0,0]=3 261 B17R1.16379 CC(=CCC/C(=C/CNCC1CCOC1)/C)C 2230a_100000737293_100016991246 [0,0,0,1,0,1|0,0,2]=4 262 B17R1.16379 CC(=CCC/C(=C/CNCC1CCOC1)/C)C 2230a_200020676162_100000702531 [0,0,0,1,0,1|0,0,2]=4 263 B17R1.16379 CC(=CCC/C(=C/CNCC1CCOC1)/C)C 34a_100000737293_100016991246 [0,0,0,1,0,1|0,0,2]=4 264 B17R1.16379 CC(=CCC/C(=C/CNCC1CCOC1)/C)C 34a_200020676162_100011261433 [0,0,0,1,0,1|0,0,2]=4 265 B17R1.16379 CC(=CCC/C(=C/CNCc1ccoc1)/C)C 2230a_100015206860_100016991246 [0,0,0,1,0,1|0,0,2]=4 266 B17R1.16379 CC(=CCC/C(=C/CNCc1ccoc1)/C)C 270004a_200020676162_100011215517 [0,0,0,1,0,1|0,0,2]=4 267 B17R1.16379 CC(=CCC/C(=C/CNCc1ccoc1)/C)C 34a_100015206860_100016991246 [0,0,0,1,0,1|0,0,2]=4 268 B17R1.16379 CC(=CCC/C(=C/CNCc1ccon1)/C)C 2230a_200020676162_100000234950 [0,0,0,1,0,1|1,0,1]=4 269 B17R1.16379 CC(=CCC/C(=C/CNCc1ccon1)/C)C 34a_200020676162_100000234950 [0,0,0,1,0,1|1,0,1]=4 270 B17R1.16379 CC(=CCC/C(=C/COCC1CCOC1)/C)C 34a_100000740260_100016991246 [0,0,0,1,0,1|0,0,2]=4 271 B17R1.16379 CC(=CCC/C(=C/COCC1COCO1)/C)C 34a_100011216627_100016991246 [0,0,0,1,0,1|1,0,1]=4 272 B17R1.16379 CC(=CCC/C(=C/COCc1ccoc1)/C)C 34a_100011215357_100016991246 [0,0,0,1,0,1|0,0,2]=4 273 B17R1.16379 CC(=CCC/C(=C/CSCC1CCOC1)/C)C 62a_100000702531_100016991246 [0,0,0,1,0,1|0,0,2]=4 274 B17R1.16379 CC(=CCC/C(=C/CSCC1CCOC1)/C)C 62a_100016991246_100000702531 [0,0,0,1,0,1|0,0,2]=4 275 B17R1.16379 CC(=CCC/C(=C/CSCc1ccon1)/C)C 62a_100000234950_100016991246 [0,0,0,1,0,1|1,0,1]=4 276 B17R1.16379 CC(=CCC/C(=C/CSCc1ccon1)/C)C 62a_100016991246_100000234950 [0,0,0,1,0,1|1,0,1]=4 277 B17R1.16379 CC(=CCC/C(=C\COCC1CCOC1)/C)C 34a_100016990311_100011261433 [0,0,0,1,0,1|0,0,2]=4 278 B17R1.16379 CC(=CCC/C(=C\COCC1CCOC1)/C)C 7a_100016990311_100000702531 [0,0,0,1,0,1|0,0,2]=4 279 B17R1.16379 CC(=CCC/C(=C\COCc1ccon1)/C)C 34a_100016990311_100000234950 [0,0,0,1,0,1|1,0,1]=4 280 B17R1.16379 CC(=CCC/C(=C\COCc1ccon1)/C)C 7a_100016990311_100000234950 [0,0,0,1,0,1|1,0,1]=4 281 B17R1.9301 CC(=CCC/C(=C/CC(=O)C1=CCCC1)/C)C 1458a_100000038896_100016991246 [0,1,0,1,0,0|1,0,1]=4 282 B17R1.9301 CC(=CCC/C(=C/CC(=O)C1=CCOC1)/C)C 1458a_100000139269_100016991246 [0,1,0,1,0,0|0,0,1]=3 283 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [1,0,0,0,1,0|1,0,1]=4 284 B13R0.493 CC(=CCC/C(=C/CC(=O)CO)/C)C 1458a_100000210174_100016991246 [1,0,0,0,1,0|1,0,0]=3 285 B13R0.493 CC(=CCCC(C)CCC(=O)CO)C 1458a_100000210174_100009814015 [1,0,0,0,1,0|1,0,1]=4 286 B13R0.493 CC=C(C)C=CC(=O)CCC=C(C)C 1458a_100000692105_100011217483 [1,0,0,0,1,0|1,0,1]=4 287 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [1,0,0,0,1,0|1,0,1]=4 288 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225621_100016991246 [1,0,0,0,1,0|1,0,1]=4 289 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225621_100016991246 [1,0,0,0,1,0|1,0,1]=4 290 B13R0.331 CC(=CCCC(=CC(=O)CCO)C)C 1458a_100016995320_100000211926 [0,0,0,0,2,0|1,0,1]=4