0 B28R3.2150299 O=C(CCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 1458a_100010776404_100000765856 [0,0,0,0,0,0|3,0,1]=4 1 B28R3.2150299 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 1626a_100015324214_100010776404 [0,0,0,0,0,0|4,0,0]=4 2 B28R3.2150299 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 240690a_100015324214_100010776404 [0,0,0,0,0,0|4,0,0]=4 3 B28R3.2150299 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 527a_100015324214_100010776404 [0,0,0,0,0,0|4,0,0]=4 4 B28R3.2150299 O=C(NNc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 22a_100015195140_100010776404 [0,0,0,0,0,0|3,0,1]=4 5 B27R3.2105631 O=C(/C=C/c1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_100000738000 [1,0,0,0,0,0|2,0,0]=3 6 B27R3.2105631 O=C(NCc1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_200000153122 [1,0,0,0,0,0|3,0,0]=4 7 B27R3.2105631 O=C(OCc1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_100000000856 [1,0,0,0,0,0|3,0,0]=4 8 B29R4.1815394 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_100000738000 [0,0,0,1,0,0|2,0,0]=3 9 B29R4.1815394 O=C(NCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100000040461_100000737414 [0,0,0,1,0,0|3,0,0]=4 10 B29R4.1815394 O=C(NCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_200000153122 [0,0,0,1,0,0|3,0,0]=4 11 B29R4.1815394 O=C(NCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4n3 271570a_100000040461_100000756483 [0,0,0,1,0,0|3,0,0]=4 12 B29R4.1815394 O=C(OCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100000040613_100000737414 [0,0,0,1,0,0|3,0,0]=4 13 B29R4.1815394 O=C(OCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_100000000856 [0,0,0,1,0,0|3,0,0]=4 14 B29R4.1815394 O=C(OCc1ccccc1)c2ccc(cc2)c3cnc4ccccc4n3 271570a_100000040613_100000756483 [0,0,0,1,0,0|3,0,0]=4 15 B27R3.2105625 O=C(CCc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 1458a_100000627292_100000765856 [0,0,0,0,1,0|1,0,2]=4 16 B27R3.2105625 O=C(Cc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 1458a_100010776404_100015291786 [0,0,0,0,1,0|2,0,1]=4 17 B27R3.2105625 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 11a_100015324214_100000627292 [0,0,0,0,1,0|2,0,1]=4 18 B27R3.2105625 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 1626a_100015324214_100000627292 [0,0,0,0,1,0|2,0,1]=4 19 B27R3.2105625 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 240690a_100015324214_100000627292 [0,0,0,0,1,0|2,0,1]=4 20 B27R3.2105625 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 527a_100015324214_100000627292 [0,0,0,0,1,0|2,0,1]=4 21 B27R3.2105625 O=C(NNc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 22a_100015195140_100000627292 [0,0,0,0,1,0|1,0,2]=4 22 B27R3.2105625 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 1626a_100000106764_100010776404 [0,0,0,0,1,0|2,0,1]=4 23 B27R3.2105625 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 22a_100000106764_100010776404 [0,0,0,0,1,0|2,0,1]=4 24 B27R3.2105625 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 527a_100000106764_100010776404 [0,0,0,0,1,0|2,0,1]=4 25 B29R3.2188915 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)CCc3ccccc3 1458a_100020650495_100000765856 [0,0,0,0,0,1|2,0,1]=4 26 B29R3.2188915 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)NCc3ccccc3 11a_100015324214_100020650495 [0,0,0,0,0,1|3,0,0]=4 27 B29R3.2188915 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)NCc3ccccc3 1626a_100015324214_100020650495 [0,0,0,0,0,1|3,0,0]=4 28 B29R3.2188915 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)NNc3ccccc3 22a_100015195140_100020650495 [0,0,0,0,0,1|2,0,1]=4 29 B29R3.2188915 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)NCc3ccccc3 11a_100015186760_100000210462 [0,0,0,0,0,1|3,0,0]=4 30 B29R3.2188915 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)NCc3ccccc3 1626a_100015186760_100000210462 [0,0,0,0,0,1|3,0,0]=4 31 B29R3.2188915 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)NCc3ccccc3 22a_100015186760_100000210462 [0,0,0,0,0,1|3,0,0]=4 32 B29R3.2188915 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)OCc3ccccc3 188690a_100000171574_100000210462 [0,0,0,0,0,1|3,0,0]=4 33 B29R3.7248760 O=C(C/C=C/c1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3 1458a_100010776404_100016265936 [0,0,0,0,0,1|3,0,0]=4 34 B28R3.189277 O=C(/C=C/c1ccc(cc1)F)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_200103154542 [1,1,0,0,0,0|2,0,0]=4 35 B28R4.10336 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3c[nH]c4c3cccc4 271570a_100012356747_100000738000 [1,0,0,1,0,0|1,0,1]=4 36 B28R4.10336 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cnn4c3cccc4 271570a_100010220532_100000738000 [1,0,0,1,0,0|2,0,0]=4 37 B28R4.1813588 C(=Cc1ccc(cc1)c2cnc3ccccc3n2)Cc4ccccc4 271570a_200016263579_200015184160 [1,0,0,1,0,0|2,0,0]=4 38 B28R4.201762 O=C(Cc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_100000185893 [0,0,0,1,1,0|1,0,1]=4 39 B28R4.201762 O=C(Nc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100000049353_100000737414 [0,0,0,1,1,0|1,0,1]=4 40 B28R4.201762 O=C(Nc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_200000153473 [0,0,0,1,1,0|1,0,1]=4 41 B28R4.201762 O=C(Nc1ccccc1)c2ccc(cc2)c3cnc4ccccc4n3 271570a_100000049353_100000756483 [0,0,0,1,1,0|1,0,1]=4 42 B28R4.201762 O=C(Oc1ccccc1)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_100029575162 [0,0,0,1,1,0|2,0,0]=4 43 B28R4.8088221 O=C(/C=C/c1ccccc1)c2ccc(cc2)C3=Cc4ccccc4C3 271570a_100010239756_100000738000 [0,0,0,1,1,0|2,0,0]=4 44 B28R4.8088221 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cc4ccccc4[nH]3 271570a_100010206980_100000738000 [0,0,0,1,1,0|2,0,0]=4 45 B28R4.8088221 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3nc4ccccc4s3 271570a_200000082171_100000738000 [0,0,0,1,1,0|1,1,0]=4 46 B30R4.9616839 O=C(/C=C/c1ccccc1)c2ccc(cc2)Sc3cnc4ccccc4n3 62a_100000738000_100000756483 [0,0,0,1,0,1|2,0,0]=4 47 B30R4.9616839 O=C(/C=C/c1ccccc1)c2ccc(cc2)Sc3cnc4ccccc4n3 62a_100000756483_100000738000 [0,0,0,1,0,1|2,0,0]=4 48 B30R4.1818934 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cnn(c3)c4ccccc4 271570a_100011263239_100000738000 [0,0,0,1,0,1|2,0,0]=4 49 B30R4.7383321 O=C(/C=C/c1ccc(cc1)F)c2ccc(cc2)c3cnc4ccccc4c3 271570a_100012350238_200103154542 [0,1,0,1,0,0|2,0,0]=4 50 B30R4.5260795 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cc4ccccc4nc3F 271570a_200000042388_100000738000 [0,1,0,1,0,0|2,0,0]=4 51 B30R4.5064506 O=C(/C=C/c1ccccc1)c2ccc(cc2)c3cnc4c(cccc4c3)F 271570a_100000707988_100000738000 [0,1,0,1,0,0|2,0,0]=4 52 B30R5.131999636 c1ccc2ncc(cc2c1)c3ccc(cc3)c4cnc5ccccc5n4 271570a_100012350238_200015184160 [0,0,0,2,0,0|2,0,0]=4 53 B26R3.97869 O=C(Cc1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_100000185893 [1,0,0,0,1,0|1,0,1]=4 54 B26R3.97869 O=C(Nc1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_200000153473 [1,0,0,0,1,0|1,0,1]=4 55 B26R3.97869 O=C(Oc1ccccc1)c2ccc(cc2)C=CCc3ccccc3 271570a_200016263579_100029575162 [1,0,0,0,1,0|2,0,0]=4 56 B26R3.2074143 O=C(/C=C/c1ccccc1)c2ccc(cc2)C=Cc3ccccc3 271570a_100102527694_100000738000 [1,0,0,0,1,0|1,0,0]=3 57 B26R3.2074143 O=C(/C=C/c1ccccc1)c2ccc(cc2)C=Cc3cccnc3 271570a_100102525586_100000738000 [1,0,0,0,1,0|2,0,0]=4 58 B26R3.2074143 O=C(NCc1ccccc1)c2ccc(cc2)C=Cc3ccccc3 271570a_100102527694_200000153122 [1,0,0,0,1,0|2,0,0]=4 59 B26R3.2074143 O=C(OCc1ccccc1)c2ccc(cc2)C=Cc3ccccc3 271570a_100102527694_100000000856 [1,0,0,0,1,0|2,0,0]=4 60 B26R3.97863 O=C(Cc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 1458a_100000627292_100015291786 [0,0,0,0,2,0|0,0,2]=4 61 B26R3.97863 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 11a_100000106764_100000627292 [0,0,0,0,2,0|0,0,2]=4 62 B26R3.97863 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 1626a_100000106764_100000627292 [0,0,0,0,2,0|0,0,2]=4 63 B26R3.97863 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 22a_100000106764_100000627292 [0,0,0,0,2,0|0,0,2]=4 64 B26R3.97863 O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 527a_100000106764_100000627292 [0,0,0,0,2,0|0,0,2]=4 65 B26R3.2074138 C=C(c1ccccc1)c2ccc(cc2)C(=O)/C=C/c3ccccc3 271570a_100000068269_100000738000 [0,0,0,0,2,0|2,0,0]=4 66 B28R3.2150312 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)Cc3ccccc3 1458a_100020650495_100015291786 [0,0,0,0,1,1|1,0,1]=4 67 B28R3.2150312 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 11a_100000106764_100020650495 [0,0,0,0,1,1|1,0,1]=4 68 B28R3.2150312 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 1626a_100000106764_100020650495 [0,0,0,0,1,1|1,0,1]=4 69 B28R3.2150312 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 22a_100000106764_100020650495 [0,0,0,0,1,1|1,0,1]=4 70 B28R3.2150312 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 11a_100012350528_100000210462 [0,0,0,0,1,1|1,0,1]=4 71 B28R3.2150312 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 1626a_100012350528_100000210462 [0,0,0,0,1,1|1,0,1]=4 72 B28R3.2150312 O=C(C=Cc1ccccc1)Nc2ccc(cc2)C(=O)Nc3ccccc3 22a_100012350528_100000210462 [0,0,0,0,1,1|1,0,1]=4 73 B28R3.5991964 O=C(C/C=C/c1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3 1458a_100000627292_100016265936 [0,0,0,0,1,1|1,0,1]=4 74 B30R3.2193728 O=C(/C=C/c1ccccc1)Nc2ccc(cc2)C(=O)C/C=C/c3ccccc3 1458a_100020650495_100016265936 [0,0,0,0,0,2|2,0,0]=4