0 B14R1.60 C#CCN(C)C(C)Cc1ccccn1 d4c8d57ad0eb3e24574cdb472dc22cb5 [0,0,1,0,0,0|2,0,1]=4 1 B14R1.60 C#CCN(C)C(C)Cc1cccnc1 f2c33a48071a03e90bd41517608919ad [0,0,1,0,0,0|2,0,1]=4 2 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 6d5f364a4c0592010ddc36c0a4847d7e [0,0,1,0,0,0|1,0,1]=3 3 B14R1.60 C=CCN(C)C(C)Cc1ccccn1 b026c1b9e1a8d1ecb320ac8ae8dcab88 [0,0,1,0,0,0|2,0,1]=4 4 B14R1.60 C=CCN(C)C(C)Cc1cccnc1 fe8e1fea36e689ef1cf5bb942604bff3 [0,0,1,0,0,0|2,0,1]=4 5 B14R1.60 CC(CCO)N(C)Cc1ccccc1 c8e84933cb4d51429e188c87a1ee58ce [0,0,1,0,0,0|2,0,0]=3 6 B14R1.60 CC(CCO)N(C)Cc1ccccn1 a7568d501664b919f15f1f8c452e55d1 [0,0,1,0,0,0|3,0,0]=4 7 B14R1.60 CC(CCO)N(C)Cc1cccnc1 458c712c36cfdb15585d1fbff3164a93 [0,0,1,0,0,0|3,0,0]=4 8 B14R1.60 CC(CCO)N(C)Cc1ccncc1 e49c51d2847fb958bccd894b6f6dca29 [0,0,1,0,0,0|3,0,0]=4 9 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 88ef2f459e9552c42fa26122de611988 [0,0,1,0,0,0|2,0,1]=4 10 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 56f561a3aee17dbc9dffe89d5c777bb9 [0,0,1,0,0,0|1,0,2]=4 11 B14R1.60 CC(Cc1ccccn1)N(C)CCF 27f95c5f812f81ca7f1ecdcd0387bcf5 [0,0,1,0,0,0|2,0,0]=3 12 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2896b768a3d5615320630832a2650e3f [0,0,1,0,0,0|1,0,0]=2 13 B14R1.60 CC(Cc1ccccn1)N(C)CCS 75ac01d95ef6eb98a072776ca5017435 [0,0,1,0,0,0|1,1,0]=3 14 B14R1.60 CC(Cc1cccnc1)N(C)CC#N 27980195f65e8f5bf1f322cfcf0c4b41 [0,0,1,0,0,0|2,0,1]=4 15 B14R1.60 CC(Cc1cccnc1)N(C)CC=O 6a22f7a113df87f4cdbc99585c3b7176 [0,0,1,0,0,0|1,0,2]=4 16 B14R1.60 CC(Cc1cccnc1)N(C)CCF 532b431a86bbaf55e11bd9f571df08fe [0,0,1,0,0,0|2,0,0]=3 17 B14R1.60 CC(Cc1cccnc1)N(C)CCO f6771b48bdd04667ca7bc8500c4e7e84 [0,0,1,0,0,0|1,0,0]=2 18 B14R1.60 CC(Cc1cccnc1)N(C)CCS c5a3f591766443b2a1eead13b36e14c5 [0,0,1,0,0,0|1,1,0]=3 19 B14R1.60 CC(Cc1cnccn1)N(C)CCF 708675c492ebc666c6a70917021c3db6 [0,0,1,0,0,0|3,0,0]=4 20 B14R1.60 CC(Cc1cnccn1)N(C)CCO 7713a4a3789400d66411e4f7f1290f6d [0,0,1,0,0,0|2,0,0]=3 21 B14R1.60 CC(Cc1cnccn1)N(C)CCS 1431d9a1d02e13f2ba4f8ee1237f9f72 [0,0,1,0,0,0|2,1,0]=4 22 B14R1.60 CCCC(C)N(C)Cc1ccccc1 64b55cac22241bcc0b4498e89ffd34f1 [0,0,1,0,0,0|3,0,0]=4 23 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2580e36a089b970508636493fe17b809 [0,0,1,0,0,0|2,0,0]=3 24 B14R1.60 CCCN(C)C(C)Cc1cccnc1 c8985805f45328af67f7a482d4c89619 [0,0,1,0,0,0|2,0,0]=3 25 B14R1.60 CCCN(C)C(C)Cc1cnccn1 ef701e2b24661b6fc8a25d7fdd0b0619 [0,0,1,0,0,0|3,0,0]=4 26 B14R1.60 CN(CCO)C(=O)Cc1ccccn1 0b9db922f4cd3cc59b803f0a8398f7ba [0,0,1,0,0,0|2,0,1]=4 27 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 14f33ea0db560b002b3ebf9664eb6265 [0,0,1,0,0,0|2,0,1]=4 28 B14R1.60 CN(CCO)C(=O)Cc1ccncc1 404766bda49bcb1387b83fafe2c76983 [0,0,1,0,0,0|2,0,1]=4 29 B14R1.60 CN(CCO)C(=O)Nc1ccccc1 9847464489d78644a2e25b4cf1cff434 [0,0,1,0,0,0|2,0,1]=4 30 B14R1.60 CN(CCO)C(=S)Nc1ccccc1 4ff05505c9a8a93220a8a00a85a35ba2 [0,0,1,0,0,0|2,0,1]=4 31 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 28deb3b555c2814c3db90b44fb995db5 [0,0,1,0,0,0|3,0,0]=4 32 B14R1.60 COCN(C)C(C)Cc1ccccn1 806af0f561d895b3e8b2c86cb82923fd [0,0,1,0,0,0|3,0,0]=4 33 B14R1.60 COCN(C)C(C)Cc1cccnc1 c6cfc6fa9a77921f321b255adbc0d44b [0,0,1,0,0,0|3,0,0]=4 34 B14R1.60 CSCN(C)C(C)Cc1ccccn1 45e124d48426d09e6f6abedd2bf36910 [0,0,1,0,0,0|3,0,0]=4 35 B14R1.60 CSCN(C)C(C)Cc1cccnc1 8c7b4672b9121012957a2a52a940e27c [0,0,1,0,0,0|3,0,0]=4 36 B14R1.60 C[C@@H](CCO)N(C)Cc1ccccc1 d1e1e45e35e1cd2754788c8badbb9d9d [0,0,1,0,0,0|2,0,0]=3 37 B14R1.60 C[C@@H](CCO)N(C)Cc1ccccn1 f044138556a05835af64e03cd2e89bb2 [0,0,1,0,0,0|3,0,0]=4 38 B14R1.60 C[C@@H](CCO)N(C)Cc1cccnc1 cfe58dec601a11dd49b4066c0154f6f8 [0,0,1,0,0,0|3,0,0]=4 39 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 35f1aa71026f994aee5de74c071ea687 [0,0,1,0,0,0|3,0,0]=4 40 B14R1.85 CCC(C)N(C)[C@@H](C)c1ccccc1 d09c8eff281d85037fc736abef2cad01 [0,0,1,0,0,0|3,0,0]=4 41 B14R1.85 CCC(C)N(C)[C@H](C)c1ccccc1 282a7e5ccc63242779e08e70843229c9 [0,0,1,0,0,0|3,0,0]=4 42 B14R1.85 CCN(C)C(=O)C(C)c1ccccc1 d2776697213581892b090f571301e758 [0,0,1,0,0,0|2,0,1]=4 43 B14R1.85 CCN(C)C(=O)C(F)c1ccccc1 f288c64bd6351b00c74b498de6d1508d [0,0,1,0,0,0|2,0,1]=4 44 B14R1.85 CCN(C)C(=O)C(O)c1ccccc1 4992e5a6c35d410ee428a97f7e9b1579 [0,0,1,0,0,0|1,0,1]=3 45 B14R1.85 CCN(C)C(=O)C(O)c1cccnc1 3d23b345750b74df6234280bd69537b6 [0,0,1,0,0,0|2,0,1]=4 46 B14R1.85 CCN(C)C(=O)C(O)c1ccncc1 dae4fff2e68d07d74c3e4901af2d00c8 [0,0,1,0,0,0|2,0,1]=4 47 B14R1.85 CCN(C)C(=O)[C@@H](C)c1ccccc1 e068d311deec32a79afa7f365a3a3b8e [0,0,1,0,0,0|2,0,1]=4 48 B14R1.85 CCN(C)C(=O)[C@@H](O)c1ccccc1 daa2877bbc42ab4d0865180a31ece2f6 [0,0,1,0,0,0|1,0,1]=3 49 B14R1.85 CCN(C)C(=O)[C@H](C)c1ccccc1 d64ef3062a06b3ab99a98255ae8347dc [0,0,1,0,0,0|2,0,1]=4 50 B14R1.85 CCN(C)C(=O)[C@H](F)c1ccccc1 3e57a5edf9f5e3a363be0cdb5c2a36da [0,0,1,0,0,0|2,0,1]=4 51 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 27ef431d2b7d420aea18a92fbc479144 [0,0,1,0,0,0|1,0,1]=3 52 B14R1.121 C#CC(OCCCC)c1ccccc1 737601267f8e271ce31dbbb0d1fc17cf [0,0,1,0,0,0|1,0,2]=4 53 B14R1.121 C#CC(OCCOC)c1ccccc1 d4c5ea678e4e71eaebb3f0b685a5ff48 [0,0,1,0,0,0|1,0,2]=4 54 B14R1.121 C#CC(OCCSC)c1ccccc1 fdf88a189d39c6b90e458000d50bdb92 [0,0,1,0,0,0|1,0,2]=4 55 B14R1.121 C#CCCNC(CC)c1ccccc1 a12153d7e3540dcce149802d7abc9ac0 [0,0,1,0,0,0|2,0,1]=4 56 B14R1.121 C#CCCN[C@@H](CC)c1ccccc1 a19b07a9a50f8e7a775a4838ab75b9d4 [0,0,1,0,0,0|2,0,1]=4 57 B14R1.121 C#CCCN[C@H](CC)c1ccccc1 97226dc0778eddc3b465013d43571434 [0,0,1,0,0,0|2,0,1]=4 58 B14R1.121 C#CCCOC(CC)c1ccccc1 fb61067ad20d1c5eeb25d3d56c659723 [0,0,1,0,0,0|1,0,1]=3 59 B14R1.121 C#CCCOC(CF)c1ccccc1 6e9e1f36915df93c4f399370e7ec71be [0,0,1,0,0,0|2,0,1]=4 60 B14R1.121 C#CCCOC(CS)c1ccccc1 82b6a0d56053815adcf785176fac201e [0,0,1,0,0,0|2,0,1]=4 61 B14R1.121 C#CCCO[C@@H](CC)c1ccccc1 c5aa913cccef7f1e1a39d235c6dcbfa6 [0,0,1,0,0,0|1,0,1]=3 62 B14R1.121 C#CCCO[C@H](CC)c1ccccc1 9efd099fb3eaa2d85f47d18cbfc9a93e [0,0,1,0,0,0|1,0,1]=3 63 B14R1.121 C#CCCO[C@H](CF)c1ccccc1 4e78079910f17945a40a00da5a9367d9 [0,0,1,0,0,0|2,0,1]=4 64 B14R1.121 C#C[C@@H](OCCCC)c1ccccc1 6e9e664ef22fd4d82b4923eec35baa42 [0,0,1,0,0,0|1,0,2]=4 65 B14R1.121 C#C[C@@H](OCCOC)c1ccccc1 75d3215ea5c9a603c14fc27c72aca07a [0,0,1,0,0,0|1,0,2]=4 66 B14R1.121 C#C[C@@H](OCCSC)c1ccccc1 e858d643504e121f17f63bc80296762e [0,0,1,0,0,0|1,0,2]=4 67 B14R1.121 C#C[C@H](OCCCC)c1ccccc1 6c77c71220085d9d8a20225c8208cdcc [0,0,1,0,0,0|1,0,2]=4 68 B14R1.121 C#C[C@H](OCCOC)c1ccccc1 476e1d4551013c3c3fe36728014e11cb [0,0,1,0,0,0|1,0,2]=4 69 B14R1.121 C#C[C@H](OCCSC)c1ccccc1 14b23ae645adc76a4bb9f410b7ea148f [0,0,1,0,0,0|1,0,2]=4 70 B14R1.121 C/C=C/CNC(CC)c1ccccc1 29f1acd0d29d87d188efbc2621a80bd5 [0,0,1,0,0,0|2,0,1]=4 71 B14R1.121 C/C=C/CN[C@@H](CC)c1ccccc1 8e6df63d01e753070e730b0903a40c14 [0,0,1,0,0,0|2,0,1]=4 72 B14R1.121 C/C=C/CN[C@H](CC)c1ccccc1 238b215549b14218a49b2e159efc5c50 [0,0,1,0,0,0|2,0,1]=4 73 B14R1.121 C/C=C/COC(CC)c1ccccc1 15d6ae7435e932547144dcbc5d3132e5 [0,0,1,0,0,0|1,0,1]=3 74 B14R1.121 C/C=C/COC(CF)c1ccccc1 0647c228d2638595fabf2e8df313c5b5 [0,0,1,0,0,0|2,0,1]=4 75 B14R1.121 C/C=C/COC(CS)c1ccccc1 c3766e5f2fe5f61fbe1783f56789b507 [0,0,1,0,0,0|2,0,1]=4 76 B14R1.121 C/C=C/CO[C@@H](CC)c1ccccc1 bf060a4cd1de106c46a41a4b85c89186 [0,0,1,0,0,0|1,0,1]=3 77 B14R1.121 C/C=C/CO[C@H](CC)c1ccccc1 9689480ce72a253347fee344022d268a [0,0,1,0,0,0|1,0,1]=3 78 B14R1.121 C/C=C/CO[C@H](CF)c1ccccc1 879284ebbacdaa440d18a136c90e7e43 [0,0,1,0,0,0|2,0,1]=4 79 B14R1.121 C/C=C\CNC(CC)c1ccccc1 1ae9f01dcf8b1c13096198495aed1960 [0,0,1,0,0,0|2,0,1]=4 80 B14R1.121 C/C=C\CN[C@@H](CC)c1ccccc1 b2eb0b264070700278b1057c032c8a6a [0,0,1,0,0,0|2,0,1]=4 81 B14R1.121 C/C=C\CN[C@H](CC)c1ccccc1 d3c06fed5d7b0827491c002d373f8e3d [0,0,1,0,0,0|2,0,1]=4 82 B14R1.121 C/C=C\COC(CC)c1ccccc1 4cce8b45b0a5e5f52437917837f5704d [0,0,1,0,0,0|1,0,1]=3 83 B14R1.121 C/C=C\COC(CF)c1ccccc1 fc1283f4f7fbec8bb4d3b15bfa5eae49 [0,0,1,0,0,0|2,0,1]=4 84 B14R1.121 C/C=C\COC(CS)c1ccccc1 e78ad3cdf96117b1d9279663b14d13ea [0,0,1,0,0,0|2,0,1]=4 85 B14R1.121 C/C=C\CO[C@@H](CC)c1ccccc1 06d9c81dc562a9da044060f3c51aff19 [0,0,1,0,0,0|1,0,1]=3 86 B14R1.121 C/C=C\CO[C@H](CC)c1ccccc1 f06bc5c3e5087cd883dc28655e7c767c [0,0,1,0,0,0|1,0,1]=3 87 B14R1.121 C/C=C\CO[C@H](CF)c1ccccc1 fa72d1e69e771591a5fea79b955f027d [0,0,1,0,0,0|2,0,1]=4 88 B14R1.121 C=CC(OCCCC)c1ccccc1 1a96f385eedd4a0c6971b44b7095c2ce [0,0,1,0,0,0|1,0,2]=4 89 B14R1.121 C=CC(OCCOC)c1ccccc1 7cbf53f6dd25f7b653288adca5500044 [0,0,1,0,0,0|1,0,2]=4 90 B14R1.121 C=CC(OCCSC)c1ccccc1 1d5cb100540cbb94ee74404870736da6 [0,0,1,0,0,0|1,0,2]=4 91 B14R1.121 C=CCCNC(CC)c1ccccc1 4b9bc4b840c1d822b6228d84134557c3 [0,0,1,0,0,0|2,0,1]=4 92 B14R1.121 C=CCCN[C@@H](CC)c1ccccc1 3e8311900e2240d994a18966e164bcd4 [0,0,1,0,0,0|2,0,1]=4 93 B14R1.121 C=CCCN[C@H](CC)c1ccccc1 849e6bba4b89035aacfaeb8a68c66391 [0,0,1,0,0,0|2,0,1]=4 94 B14R1.121 C=CCCOC(CC)c1ccccc1 b701dab1d458deb95ff7c3e98d7e5b2f [0,0,1,0,0,0|1,0,1]=3 95 B14R1.121 C=CCCOC(CF)c1ccccc1 26a1c5e834ea3fa4ada1e07428a8a7ef [0,0,1,0,0,0|2,0,1]=4 96 B14R1.121 C=CCCOC(CS)c1ccccc1 cf1a813e271c5bc127b072bc2249276d [0,0,1,0,0,0|2,0,1]=4 97 B14R1.121 C=CCCO[C@@H](CC)c1ccccc1 3960e4555df005a7dc9af5c1ede16921 [0,0,1,0,0,0|1,0,1]=3 98 B14R1.121 C=CCCO[C@H](CC)c1ccccc1 be6c0e82396a9d6e4410ce09762addaa [0,0,1,0,0,0|1,0,1]=3 99 B14R1.121 C=CCCO[C@H](CF)c1ccccc1 04167806535890022754ced100ca47c5 [0,0,1,0,0,0|2,0,1]=4 100 B14R1.121 CC#CCNC(CC)c1ccccc1 5ead90e4a5da96bdc194ee3e6be5b042 [0,0,1,0,0,0|2,0,1]=4 101 B14R1.121 CC#CCOC(CC)c1ccccc1 d03ca7abcfa93dd5690f8f12df9b00d2 [0,0,1,0,0,0|1,0,1]=3 102 B14R1.121 CC=CCNC(CC)c1ccccc1 1646945413d9d66294fad027210ce77d [0,0,1,0,0,0|2,0,1]=4 103 B14R1.121 CC=CCOC(CC)c1ccccc1 3337be820d6d59a9a2af58af41f25798 [0,0,1,0,0,0|1,0,1]=3 104 B14R1.121 CCC(COCOC)c1ccccc1 810e2e22e3eb4816fe3f451e3938203d [0,0,1,0,0,0|3,0,0]=4 105 B14R1.121 CCC(COCSC)c1ccccc1 b1b81d6970080c13da997fb33ed6cd13 [0,0,1,0,0,0|3,0,0]=4 106 B14R1.121 CCC(NCCC#N)c1ccccc1 d9b82849ae4f9b1633f7bd72ab6a56ce [0,0,1,0,0,0|3,0,0]=4 107 B14R1.121 CCC(NCCC=O)c1ccccc1 1fbb9239c32dd7c309fdd40c5ce110cd [0,0,1,0,0,0|3,0,0]=4 108 B14R1.121 CCC(NCCCCl)c1ccccc1 61c66e85ee40293a4b5ba5446242706c [0,0,1,0,0,0|3,0,0]=4 109 B14R1.121 CCC(NCCCF)c1ccccc1 7ed2fec41740627e8b09d618edff54c7 [0,0,1,0,0,0|3,0,0]=4 110 B14R1.121 CCC(NCCCO)c1ccccc1 7448cdefb3dd8788ff6d97c62120f039 [0,0,1,0,0,0|3,0,0]=4 111 B14R1.121 CCC(NCCOC)c1ccccc1 0522479c320e81f941ee2c6356f60da2 [0,0,1,0,0,0|2,0,0]=3 112 B14R1.121 CCC(NCCOC)c1ccccn1 807bbfe2d1cae318c3f147556714ea2a [0,0,1,0,0,0|3,0,0]=4 113 B14R1.121 CCC(NCCOC)c1cccnc1 a1331135536252030292fe40e3c781cd [0,0,1,0,0,0|3,0,0]=4 114 B14R1.121 CCC(NCCOC)c1ccncc1 478ad3957ea10f130cfb573cf0dedd6a [0,0,1,0,0,0|3,0,0]=4 115 B14R1.121 CCC(NCCON)c1ccccc1 24b09f82a9fbcf6b960ae0086f24e620 [0,0,1,0,0,0|3,0,0]=4 116 B14R1.121 CCC(NCCSC)c1ccccc1 158eb97a0d7417e478d0297dbdbbbea2 [0,0,1,0,0,0|2,0,0]=3 117 B14R1.121 CCC(NCCSC)c1ccccn1 f714aae7df378fe4eb6b08d5706abc33 [0,0,1,0,0,0|3,0,0]=4 118 B14R1.121 CCC(NCCSC)c1cccnc1 0e14f6505996eb2629d9ecc273a12727 [0,0,1,0,0,0|3,0,0]=4 119 B14R1.121 CCC(NCCSC)c1ccncc1 50b64af8d7b9d253736787776db86f89 [0,0,1,0,0,0|3,0,0]=4 120 B14R1.121 CCC(OC/C=C/Cl)c1ccccc1 a0c7700936382ae96c60a48a45b92e8e [0,0,1,0,0,0|2,0,1]=4 121 B14R1.121 CCC(OC/C=C\Cl)c1ccccc1 9258e4815611e63e1d32a4eca1b19d69 [0,0,1,0,0,0|2,0,1]=4 122 B14R1.121 CCC(OCC#CI)c1ccccc1 4b41f69f584201927376fec01cd26329 [0,0,1,0,0,0|2,0,1]=4 123 B14R1.121 CCC(OCC=CCl)c1ccccc1 5f48252f3f07aff91ce4c946dca6bcd4 [0,0,1,0,0,0|2,0,1]=4 124 B14R1.121 CCC(OCCC#N)c1ccccc1 4b372f6c80642791c732bf28f938b7e7 [0,0,1,0,0,0|2,0,0]=3 125 B14R1.121 CCC(OCCC=O)c1ccccc1 bec435055402157d3f1a6cabc0b3d377 [0,0,1,0,0,0|2,0,0]=3 126 B14R1.121 CCC(OCCCF)c1ccccc1 b107187c67cb8e2a0afdc88f86bbb897 [0,0,1,0,0,0|2,0,0]=3 127 B14R1.121 CCC(OCCCS)c1ccccc1 3c56d5c01780ebc0140cc62275ada513 [0,0,1,0,0,0|2,0,0]=3 128 B14R1.121 CCC(OCCOC)c1ccccc1 af92ae53c6f6b65442ae9f0eb14d4432 [0,0,1,0,0,0|1,0,0]=2 129 B14R1.121 CCC(OCCSC)c1ccccc1 1cd085d68d1f3b5c95e3e557dd16d9e4 [0,0,1,0,0,0|1,0,0]=2 130 B14R1.121 CCC(OCSC#N)c1ccccc1 91b31b02c8994d8d95b3fdb37407840c [0,0,1,0,0,0|3,0,0]=4 131 B14R1.121 CCCCNC(CC)c1ccccc1 d1d8d5d1f52fbfbc916d360cea34d9b4 [0,0,1,0,0,0|2,0,0]=3 132 B14R1.121 CCCCNC(CC)c1ccccn1 9c90f0fda1eaab0afc685064f2b31cf0 [0,0,1,0,0,0|3,0,0]=4 133 B14R1.121 CCCCNC(CC)c1cccnc1 5f8185e504baf9239a858874d1721428 [0,0,1,0,0,0|3,0,0]=4 134 B14R1.121 CCCCNC(CC)c1ccncc1 554d431d174d100e88d4b7dd9060e235 [0,0,1,0,0,0|3,0,0]=4 135 B14R1.121 CCCCNC(CO)c1ccccc1 725e531bb973f859f88199c0f81c808b [0,0,1,0,0,0|3,0,0]=4 136 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 5540c85f5a1e8a798487b8310da0c624 [0,0,1,0,0,0|2,0,0]=3 137 B14R1.121 CCCCN[C@@H](CC)c1ccccn1 60a94953914731b133a141e78a0be756 [0,0,1,0,0,0|3,0,0]=4 138 B14R1.121 CCCCN[C@@H](CC)c1ccncc1 e72a7c08e2c9a0163b26aba1eea6d248 [0,0,1,0,0,0|3,0,0]=4 139 B14R1.121 CCCCN[C@@H](CF)c1ccccc1 56d618f0b1b775305c02332c0c02dd91 [0,0,1,0,0,0|3,0,0]=4 140 B14R1.121 CCCCN[C@@H](CO)c1ccccc1 a31c11ed938c8ebda2002ee3ce7267e6 [0,0,1,0,0,0|3,0,0]=4 141 B14R1.121 CCCCN[C@H](CC)c1ccccc1 79de95460937bf3fd51edad2c961d6d5 [0,0,1,0,0,0|2,0,0]=3 142 B14R1.121 CCCCN[C@H](CC)c1ccccn1 8ecbb263fe58bd9575e9a689aa246a24 [0,0,1,0,0,0|3,0,0]=4 143 B14R1.121 CCCCN[C@H](CO)c1ccccc1 9281ec3b40ef852ea324c725abedd27a [0,0,1,0,0,0|3,0,0]=4 144 B14R1.121 CCCCOC(C#N)c1ccccc1 b2a76b0a2fd2a22baba95fc2f8763107 [0,0,1,0,0,0|2,0,1]=4 145 B14R1.121 CCCCOC(CC)c1ccccc1 9779e66325fba2ef97e09cbb8c4a5d34 [0,0,1,0,0,0|1,0,0]=2 146 B14R1.121 CCCCOC(CF)c1ccccc1 144c012c7306c2d30b9a4d6729ba0e4e [0,0,1,0,0,0|2,0,0]=3 147 B14R1.121 CCCCO[C@@H](C#N)c1ccccc1 51f0ed2c1d21a1e5f01d44173ba189df [0,0,1,0,0,0|2,0,1]=4 148 B14R1.121 CCCCO[C@@H](CC)c1ccccc1 1f7a1cd8fd6b667007ab9eb49d9e41fa [0,0,1,0,0,0|1,0,0]=2 149 B14R1.121 CCCCO[C@H](CC)c1ccccc1 8a9b5937b04d25745c53fbc04aa28e32 [0,0,1,0,0,0|1,0,0]=2 150 B14R1.121 CCCCO[C@H](CF)c1ccccc1 64fc849e3bc84983b165b0fc09e445b7 [0,0,1,0,0,0|2,0,0]=3 151 B14R1.121 CCCOCC(CC)c1ccccc1 d6945fccb0e02fee9012bae0098a606b [0,0,1,0,0,0|3,0,0]=4 152 B14R1.121 CCN(CCCOC)c1ccccc1 0c9d3cd793bd7b7a74a0c8c0fbfcf14f [0,0,1,0,0,0|3,0,0]=4 153 B14R1.121 CCN(CCCSC)c1ccccc1 31e438439219816f8161fad831dde7a1 [0,0,1,0,0,0|3,0,0]=4 154 B14R1.121 CCOCNC(CC)c1ccccc1 7f427898557f88c094ecad3bc0df7948 [0,0,1,0,0,0|3,0,0]=4 155 B14R1.121 CCOCN[C@@H](CC)c1ccccc1 5616e3fb918c408acce7e4d85058cf1c [0,0,1,0,0,0|3,0,0]=4 156 B14R1.121 CCOCN[C@H](CC)c1ccccc1 e05d06453d122f4f10024028587be416 [0,0,1,0,0,0|3,0,0]=4 157 B14R1.121 CC[C@@H](NCCC#N)c1ccccc1 179a35450ec327b43955174fd33ddaa0 [0,0,1,0,0,0|3,0,0]=4 158 B14R1.121 CC[C@@H](NCCC=O)c1ccccc1 55792e0fa8b0c1908399236aee105520 [0,0,1,0,0,0|3,0,0]=4 159 B14R1.121 CC[C@@H](NCCCF)c1ccccc1 098e879a1696dfb4668701ed290ede61 [0,0,1,0,0,0|3,0,0]=4 160 B14R1.121 CC[C@@H](NCCCO)c1ccccc1 9ebf8cd3961f49a92cba799072b6016f [0,0,1,0,0,0|3,0,0]=4 161 B14R1.121 CC[C@@H](NCCOC)c1ccccc1 791c7fdb69bf6ff8011043d388a0d69d [0,0,1,0,0,0|2,0,0]=3 162 B14R1.121 CC[C@@H](NCCOC)c1ccccn1 fddf5a8a569bdf958f5bfaf3875c441f [0,0,1,0,0,0|3,0,0]=4 163 B14R1.121 CC[C@@H](NCCSC)c1ccccc1 f025245c2e51a6425652ae18de72d8fb [0,0,1,0,0,0|2,0,0]=3 164 B14R1.121 CC[C@@H](NCCSC)c1ccccn1 99f51c6468e3df6b03dba6b851b90ce3 [0,0,1,0,0,0|3,0,0]=4 165 B14R1.121 CC[C@@H](OC/C=C/Cl)c1ccccc1 e3242ecfa83e37df10ef3303be537a0f [0,0,1,0,0,0|2,0,1]=4 166 B14R1.121 CC[C@@H](OC/C=C\Cl)c1ccccc1 763ae8a678e0e84f3ea7ddfe015aa5b8 [0,0,1,0,0,0|2,0,1]=4 167 B14R1.121 CC[C@@H](OCCC#N)c1ccccc1 2bc64080cd770be255ccfebcb5f64047 [0,0,1,0,0,0|2,0,0]=3 168 B14R1.121 CC[C@@H](OCCC=O)c1ccccc1 5fa269d4f5fdefddcb0b80554264d484 [0,0,1,0,0,0|2,0,0]=3 169 B14R1.121 CC[C@@H](OCCCF)c1ccccc1 b0e55e6ae147d5d9dd090b7520ea6c35 [0,0,1,0,0,0|2,0,0]=3 170 B14R1.121 CC[C@@H](OCCCS)c1ccccc1 8ed930150465a83fc063e456926f611c [0,0,1,0,0,0|2,0,0]=3 171 B14R1.121 CC[C@@H](OCCOC)c1ccccc1 3a83b3c6521b998c6dbd5b4ab6120094 [0,0,1,0,0,0|1,0,0]=2 172 B14R1.121 CC[C@@H](OCCSC)c1ccccc1 ef171ce835b72bbd9641cf952058470a [0,0,1,0,0,0|1,0,0]=2 173 B14R1.121 CC[C@@H](OCSC#N)c1ccccc1 c5e933589ca05fe9271ef3d3d556e4aa [0,0,1,0,0,0|3,0,0]=4 174 B14R1.121 CC[C@H](NCCC#N)c1ccccc1 f37293e69dcaeff322b7d1785b55beaf [0,0,1,0,0,0|3,0,0]=4 175 B14R1.121 CC[C@H](NCCC=O)c1ccccc1 ba991a7ca0471ecd5578622b8010d5ad [0,0,1,0,0,0|3,0,0]=4 176 B14R1.121 CC[C@H](NCCCF)c1ccccc1 c248a7e821255b5b97a17fcd70fbcb75 [0,0,1,0,0,0|3,0,0]=4 177 B14R1.121 CC[C@H](NCCCO)c1ccccc1 7b5bb1c949f3016525e73fe618214c40 [0,0,1,0,0,0|3,0,0]=4 178 B14R1.121 CC[C@H](NCCOC)c1ccccc1 84ed7a31d7de7ed23ab26427d1b1a5d5 [0,0,1,0,0,0|2,0,0]=3 179 B14R1.121 CC[C@H](NCCOC)c1ccccn1 4b6574f303988f330a1c739cd5f22883 [0,0,1,0,0,0|3,0,0]=4 180 B14R1.121 CC[C@H](NCCOC)c1ccncc1 fa602ba05d1d7d62c60d9f3f0443c137 [0,0,1,0,0,0|3,0,0]=4 181 B14R1.121 CC[C@H](NCCSC)c1ccccc1 11ba7b46485678dc951f290525c76132 [0,0,1,0,0,0|2,0,0]=3 182 B14R1.121 CC[C@H](NCCSC)c1ccccn1 dd0ed13a879df4e0a2c37bbf04c1557c [0,0,1,0,0,0|3,0,0]=4 183 B14R1.121 CC[C@H](NCCSC)c1ccncc1 aab7c7a1fab356ff658a62e413499c5b [0,0,1,0,0,0|3,0,0]=4 184 B14R1.121 CC[C@H](OC/C=C/Cl)c1ccccc1 a3de766c4965e5b0d5f026e3acf5bcba [0,0,1,0,0,0|2,0,1]=4 185 B14R1.121 CC[C@H](OC/C=C\Cl)c1ccccc1 10cd2889affc986cb66d59f46fe2ee29 [0,0,1,0,0,0|2,0,1]=4 186 B14R1.121 CC[C@H](OCCC#N)c1ccccc1 4ea73ea17004c68552c1e2a3e31512f9 [0,0,1,0,0,0|2,0,0]=3 187 B14R1.121 CC[C@H](OCCC=O)c1ccccc1 7eff66d2b8222ed9bf769591a5489cbf [0,0,1,0,0,0|2,0,0]=3 188 B14R1.121 CC[C@H](OCCCF)c1ccccc1 037ac148c3cce5bb4fa4ead3bf14243c [0,0,1,0,0,0|2,0,0]=3 189 B14R1.121 CC[C@H](OCCCS)c1ccccc1 81db3fcb3b75ba2a8ef2cc8188e91a5a [0,0,1,0,0,0|2,0,0]=3 190 B14R1.121 CC[C@H](OCCOC)c1ccccc1 0471ecf76f23b6eb6ca7383e4d509086 [0,0,1,0,0,0|1,0,0]=2 191 B14R1.121 CC[C@H](OCCSC)c1ccccc1 2e6d8664d94aa6921b437608ef965423 [0,0,1,0,0,0|1,0,0]=2 192 B14R1.121 CC[C@H](OCSC#N)c1ccccc1 5773c7459bce57758b805b5b35b49f98 [0,0,1,0,0,0|3,0,0]=4 193 B14R1.121 COCCNC(CO)c1ccccc1 102d3b09eed29e0c0d499b21d8d84546 [0,0,1,0,0,0|3,0,0]=4 194 B14R1.121 COCCN[C@@H](CF)c1ccccc1 913f611b99c27ab2fb251aa49fc9bd7d [0,0,1,0,0,0|3,0,0]=4 195 B14R1.121 COCCN[C@@H](CO)c1ccccc1 28fff56a60d38dd48d8ddd66a0b08105 [0,0,1,0,0,0|3,0,0]=4 196 B14R1.121 COCCN[C@H](CO)c1ccccc1 ff3152354edc2275324b4b0e81cfbc49 [0,0,1,0,0,0|3,0,0]=4 197 B14R1.121 COCCOC(C#N)c1ccccc1 d430713c10d5927e5b13cab22d7c0db3 [0,0,1,0,0,0|2,0,1]=4 198 B14R1.121 COCCOC(CF)c1ccccc1 97eb72b8c37d945cf074d77887395a13 [0,0,1,0,0,0|2,0,0]=3 199 B14R1.121 COCCOC(CS)c1ccccc1 6457e51c483ef711a95374071d18847a [0,0,1,0,0,0|2,0,0]=3 200 B14R1.121 COCCO[C@@H](C#N)c1ccccc1 3130647b95a5a1aa76f4d3a7c6dc83a7 [0,0,1,0,0,0|2,0,1]=4 201 B14R1.121 COCCO[C@H](CF)c1ccccc1 b37eefeb6caa883b2e0a446831a2b27c [0,0,1,0,0,0|2,0,0]=3 202 B14R1.121 CSCCNC(CO)c1ccccc1 05d37e31b0b349b31a89384b3753ce20 [0,0,1,0,0,0|3,0,0]=4 203 B14R1.121 CSCCN[C@@H](CF)c1ccccc1 bde30030a75a35e71929aebf835d93d5 [0,0,1,0,0,0|3,0,0]=4 204 B14R1.121 CSCCN[C@@H](CO)c1ccccc1 6e0d70579f99b375527e042ad1865d05 [0,0,1,0,0,0|3,0,0]=4 205 B14R1.121 CSCCN[C@H](CO)c1ccccc1 52a25b084764312cbab1f65180616d76 [0,0,1,0,0,0|3,0,0]=4 206 B14R1.121 CSCCOC(C#N)c1ccccc1 abd25d69410bd6f2ce52115a550c5c37 [0,0,1,0,0,0|2,0,1]=4 207 B14R1.121 CSCCOC(CF)c1ccccc1 52bf3a0456ab62d0d129a0a98e63e520 [0,0,1,0,0,0|2,0,0]=3 208 B14R1.121 CSCCO[C@@H](C#N)c1ccccc1 ae8d396cfd4d094be914b138f4f6305c [0,0,1,0,0,0|2,0,1]=4 209 B14R1.121 CSCCO[C@H](CF)c1ccccc1 4599e17d41662e5a7fe09b36fc83349d [0,0,1,0,0,0|2,0,0]=3 210 B14R1.121 FCC(OCCCS)c1ccccc1 21a533ab555a5116c751f6d7a658555d [0,0,1,0,0,0|3,0,0]=4 211 B14R1.121 FCCCOC(CF)c1ccccc1 45a4a015180dc03596c6e8b8f163fb2f [0,0,1,0,0,0|3,0,0]=4 212 B14R1.121 FCCCOC(CS)c1ccccc1 ba9cea64127b72734e55a4555aa10d38 [0,0,1,0,0,0|3,0,0]=4 213 B14R1.121 FCCCO[C@H](CF)c1ccccc1 73366cd244c84c839fdf98ce02d81656 [0,0,1,0,0,0|3,0,0]=4 214 B14R1.121 FC[C@@H](OCCCS)c1ccccc1 a5bab3d46348caf01bf3bd72bf51f7a5 [0,0,1,0,0,0|3,0,0]=4 215 B14R1.121 N#CCCOC(CF)c1ccccc1 5041821a859502bbc6079c79100c04a0 [0,0,1,0,0,0|3,0,0]=4 216 B14R1.121 N#CCCOC(CS)c1ccccc1 645fc0b081ea1c525b97675e356d5cad [0,0,1,0,0,0|3,0,0]=4 217 B14R1.121 N#CCCO[C@H](CF)c1ccccc1 307558e35300df6f52836074fb4fc160 [0,0,1,0,0,0|3,0,0]=4 218 B14R1.121 O=CCCOC(CF)c1ccccc1 5f3424d31be7608d062df25be70fcc3b [0,0,1,0,0,0|3,0,0]=4 219 B14R1.121 O=CCCO[C@H](CF)c1ccccc1 dd493e2f01667c3efa61acb34aaa8777 [0,0,1,0,0,0|3,0,0]=4 220 B14R1.521 CCCN(c1ccccc1)C(C)CC b72099c371877260204033eac4798204 [0,0,1,0,0,0|3,0,0]=4 221 B14R1.521 CCNC(C(=O)NC)c1ccccc1 c33d8f5cd749a9a27d0b647437558883 [0,0,1,0,0,0|2,0,1]=4 222 B14R1.521 CCN[C@@H](C(=O)NC)c1ccccc1 ea7f419c0c3089f1ffafcd597190bc88 [0,0,1,0,0,0|2,0,1]=4 223 B14R1.521 CCN[C@H](C(=O)NC)c1ccccc1 67437ccecb3706bc6eb1e66e3dcc528f [0,0,1,0,0,0|2,0,1]=4 224 B14R1.521 CCOC(C(=O)NC)c1ccccc1 96c146e146582cbb0cdf5565c3701784 [0,0,1,0,0,0|1,0,1]=3 225 B14R1.521 CCOC(C(=O)OC)c1ccccc1 6f943178375b56a49421206ea4fd9c58 [0,0,1,0,0,0|2,0,1]=4 226 B14R1.521 CCO[C@@H](C(=O)NC)c1ccccc1 ad7651243ddc7d91d2bb89f93db27cfa [0,0,1,0,0,0|1,0,1]=3 227 B14R1.521 CCO[C@@H](C(=O)OC)c1ccccc1 b2eb75bb47e3235b6430b088f71742f1 [0,0,1,0,0,0|2,0,1]=4 228 B14R1.521 CCO[C@H](C(=O)NC)c1ccccc1 e5584fce424a463c52cda02c25e8dfb0 [0,0,1,0,0,0|1,0,1]=3 229 B14R1.521 CCO[C@H](C(=O)OC)c1ccccc1 4ce140799a144c247c75372fc7e04a23 [0,0,1,0,0,0|2,0,1]=4 230 B14R1.521 CNC(=O)C(OCF)c1ccccc1 64518b98ad3ef1222e0c671496a2a724 [0,0,1,0,0,0|2,0,1]=4 231 B14R1.521 CNC(=O)[C@@H](OCF)c1ccccc1 c524c5d0b030929ab14041fd18cc4ecc [0,0,1,0,0,0|2,0,1]=4 232 B14R1.521 CNC(=O)[C@H](OCF)c1ccccc1 c3ed49c994fdbfc2451a2d834e8b48e4 [0,0,1,0,0,0|2,0,1]=4 233 B14R1.716 CC(CO)CCNCc1ccccc1 72e82b3553dc5ca76b348dc66604f3c9 [0,0,1,0,0,0|3,0,0]=4 234 B14R1.716 CC(CO)NCOCc1ccccc1 fd4980669091c7653f279846376f046b [0,0,1,0,0,0|3,0,0]=4 235 B14R1.716 CCC(=O)OCOCc1ccccc1 82dabbad82d62dc4bf6795e438cbdcac [0,0,1,0,0,0|3,0,0]=4 236 B14R1.716 CCC(C)CCNCc1ccccc1 f5ca0aa9f107b6d394a1e249be6fbdba [0,0,1,0,0,0|2,0,0]=3 237 B14R1.716 CCC(C)CCNCc1ccccn1 b25b2167bfe8d9d4222ac48ea0e2afe5 [0,0,1,0,0,0|3,0,0]=4 238 B14R1.716 CCC(C)CCNCc1cccnc1 358b0681a541be0cd701e9ebc6093eaa [0,0,1,0,0,0|3,0,0]=4 239 B14R1.716 CCC(C)CCNCc1ccncc1 62d51e77107c9e86286c3705c3acebea [0,0,1,0,0,0|3,0,0]=4 240 B14R1.716 CCC(C)CCOCc1ccccc1 7fee825c97bd44007481e5af849512ea [0,0,1,0,0,0|1,0,0]=2 241 B14R1.716 CCC(C)CCOCc1ccccn1 fc70ab570d4ec0a3cb589d4cb5ea8743 [0,0,1,0,0,0|2,0,0]=3 242 B14R1.716 CCC(C)CCOCc1cccnc1 8fad3e224290944f9f4878a5c00358fe [0,0,1,0,0,0|2,0,0]=3 243 B14R1.716 CCC(C)CCOCc1cccnn1 3579badab44b8e69e3de52d02d14636c [0,0,1,0,0,0|3,0,0]=4 244 B14R1.716 CCC(C)CCOCc1ccncc1 0a5d1a9b06a8e2b5581b96d2e5b63a98 [0,0,1,0,0,0|2,0,0]=3 245 B14R1.716 CCC(C)CCOCc1ccncn1 b0ea4b774e4a390e5ce62c9334d869cd [0,0,1,0,0,0|3,0,0]=4 246 B14R1.716 CCC(C)CCOCc1ccnnc1 2fc6e1028307d335493d25759cd1ab91 [0,0,1,0,0,0|3,0,0]=4 247 B14R1.716 CCC(C)CCOCc1cnccn1 9840cf4111486d7fbba7e8251c3eeaf4 [0,0,1,0,0,0|3,0,0]=4 248 B14R1.716 CCC(C)CCOCc1cncnc1 044a99c50b7852f807871f5bb580abcc [0,0,1,0,0,0|3,0,0]=4 249 B14R1.716 CCC(C)CCOCc1ncccn1 2955222d773178ebc08251520db1fb27 [0,0,1,0,0,0|3,0,0]=4 250 B14R1.716 CCC(C)CNCCc1ccccc1 f8f1f6ec11afcca90571520255996fe1 [0,0,1,0,0,0|3,0,0]=4 251 B14R1.716 CCC(C)COCCc1ccccc1 08a53fd942c136e171ca5ed139d1a470 [0,0,1,0,0,0|3,0,0]=4 252 B14R1.716 CCC(C)NCCCc1ccccc1 68ba7392c8dec1001b7b22dae155e074 [0,0,1,0,0,0|3,0,0]=4 253 B14R1.716 CCC(C)OCCCc1ccccc1 29db9a0d6469158176c786db9c45dfbd [0,0,1,0,0,0|3,0,0]=4 254 B14R1.716 CCC(C)OCSCc1ccccc1 f7ab00e41866b4783e527a5b09b7a657 [0,0,1,0,0,0|2,1,0]=4 255 B14R1.716 CCC(S)CCOCc1ccccc1 15afdfd656dc53df38631334b1469096 [0,0,1,0,0,0|2,0,0]=3 256 B14R1.716 CCC(S)CCOCc1ccccn1 f8d8c5e0fef3c07177a72ae7adbed3a2 [0,0,1,0,0,0|3,0,0]=4 257 B14R1.716 CCC(S)CCOCc1cccnc1 3d630845a014e30e55be28b7c1b14596 [0,0,1,0,0,0|3,0,0]=4 258 B14R1.716 CCN(C)CCCCc1ccccc1 0a7d3ae446fa531564e8307291e0c9b4 [0,0,1,0,0,0|1,0,0]=2 259 B14R1.716 CCN(C)CCCCc1ccncc1 64717fc1359b680356eb67f4fc2ebae5 [0,0,1,0,0,0|2,0,0]=3 260 B14R1.716 CCN(C)CCCNc1ccccc1 ad6ff35ac1ef6f494246e96fe210e2a4 [0,0,1,0,0,0|2,0,0]=3 261 B14R1.716 CCN(C)CCCNc1cccnc1 15d57e9db870ca5eb8145edfaec04292 [0,0,1,0,0,0|3,0,0]=4 262 B14R1.716 CCN(C)CCCNc1ccncc1 b5916fb70337638820ee95ade8150b54 [0,0,1,0,0,0|3,0,0]=4 263 B14R1.716 CCN(C)CCCOc1ccccc1 fa27d27fd5a76b4ffd489da31ae60873 [0,0,1,0,0,0|2,0,0]=3 264 B14R1.716 CCN(C)CCOCc1ccccc1 05600c4b39ea1def7601833464de93dc [0,0,1,0,0,0|0,0,0]=1 265 B14R1.716 CCN(C)CCSCc1ccccc1 b7078c9084b645caf1a2e61084283370 [0,0,1,0,0,0|0,1,0]=2 266 B14R1.716 CCS(=O)CCNCc1ccccc1 9b72ec68ed7b164bf12e77d1d016942b [0,0,1,0,0,0|3,0,0]=4 267 B14R1.716 CCS(=O)CCOCc1ccccc1 9d056acd5ef6863e13ec8b139e2e0217 [0,0,1,0,0,0|2,0,0]=3 268 B14R1.716 CCS(=O)CCOCc1ccccn1 79cee911824a21615bb4de6df62f57b6 [0,0,1,0,0,0|3,0,0]=4 269 B14R1.716 CCS(=O)CCOCc1cccnc1 e519cdbdf80e34ad192ceb5c218b3da7 [0,0,1,0,0,0|3,0,0]=4 270 B14R1.716 CCS(=O)CCOCc1ccncc1 60fd92ef9f0c214d3332e761626337e8 [0,0,1,0,0,0|3,0,0]=4 271 B14R1.716 CC[C@@H](C)CNCCc1ccccc1 5a25e93b30b261700f71bdb0a4783e8d [0,0,1,0,0,0|3,0,0]=4 272 B14R1.716 CC[C@@H](C)COCCc1ccccc1 d41937b4ba8a2173a041eabe211b4343 [0,0,1,0,0,0|3,0,0]=4 273 B14R1.716 CC[C@@H](C)NCCCc1ccccc1 5ad7ab695eba382f5c1816b4e8b0bcaa [0,0,1,0,0,0|3,0,0]=4 274 B14R1.716 CC[C@@H](C)OCCCc1ccccc1 ad9eefdb436bb106d2018e179e6adf4d [0,0,1,0,0,0|3,0,0]=4 275 B14R1.716 CC[C@@H](C)OCSCc1ccccc1 c7fc43c086c2f6188c5af1823400b2b7 [0,0,1,0,0,0|2,1,0]=4 276 B14R1.716 CC[C@H](C)CCOCc1ccccc1 1985ab2fe223a18ab78ec0f44d1c42ed [0,0,1,0,0,0|1,0,0]=2 277 B14R1.716 CC[C@H](C)CCOCc1ccccn1 737584ccd8c2149cf2b191ce3480467d [0,0,1,0,0,0|2,0,0]=3 278 B14R1.716 CC[C@H](C)CCOCc1cccnc1 2c48598659c1b1f0c2672400f43091c3 [0,0,1,0,0,0|2,0,0]=3 279 B14R1.716 CC[C@H](C)CCOCc1cccnn1 dd5af71926f6454cc06fd6ff5f470e5b [0,0,1,0,0,0|3,0,0]=4 280 B14R1.716 CC[C@H](C)CCOCc1ccncn1 ecb49320188f3aa9ceaeffc870a1c569 [0,0,1,0,0,0|3,0,0]=4 281 B14R1.716 CC[C@H](C)CCOCc1cncnc1 95c0df10ded62dc6f7d9681ffaf9a830 [0,0,1,0,0,0|3,0,0]=4 282 B14R1.716 CC[C@H](C)CCOCc1ncccn1 e3525ac20c960be5cdc0f550766be321 [0,0,1,0,0,0|3,0,0]=4 283 B14R1.716 CC[C@H](C)CNCCc1ccccc1 10a3f907981f15819e11a649d9e2f82c [0,0,1,0,0,0|3,0,0]=4 284 B14R1.716 CC[C@H](C)COCCc1ccccc1 708da81b054395b6b0f50ae49d8c003b [0,0,1,0,0,0|3,0,0]=4 285 B14R1.716 CC[C@H](C)NCCCc1ccccc1 854d63c54ee10233e58929371bcf14f2 [0,0,1,0,0,0|3,0,0]=4 286 B14R1.716 CC[C@H](C)OCCCc1ccccc1 dc9f6fbc39c6b20c6c70d479e78cf05e [0,0,1,0,0,0|3,0,0]=4 287 B14R1.716 CC[C@H](C)OCSCc1ccccc1 05eebb89450f546cc287b58cb443f2fa [0,0,1,0,0,0|2,1,0]=4 288 B14R1.716 CN(C#N)CCOCc1ccccc1 69de80dabcaa373893d2f2f393d0f7d7 [0,0,1,0,0,0|1,0,1]=3 289 B14R1.716 CN(C#N)CCOCc1ccccn1 bcc46b21f5f9ee33b2f125cabe11a83d [0,0,1,0,0,0|2,0,1]=4 290 B14R1.716 CN(C#N)CCOCc1cccnc1 9f735a8aee6f25e1f5c14cc1820c4d60 [0,0,1,0,0,0|2,0,1]=4 291 B14R1.716 CN(C=O)CCCCc1ccccc1 076a707777f692cc4d36643806efb140 [0,0,1,0,0,0|2,0,1]=4 292 B14R1.716 CN(C=O)CCOCc1ccccc1 46f00ebe0464187f5b27e85a613f0e88 [0,0,1,0,0,0|1,0,1]=3 293 B14R1.716 CN(C=O)CCOCc1ccccn1 2bfbf6ef8855ac59c8d8979ddb2cbf66 [0,0,1,0,0,0|2,0,1]=4 294 B14R1.716 CN(C=O)CCOCc1cccnc1 3722d7f79e48e7730ba1578f042ba0b2 [0,0,1,0,0,0|2,0,1]=4 295 B14R1.716 CN(CF)CCCCc1ccccc1 dd2077b89a66c5616dc9f51e60807fad [0,0,1,0,0,0|2,0,0]=3 296 B14R1.716 CN(CF)CCCOc1ccccc1 96ef87ea1a6ff3d23e8aa967b094cfe1 [0,0,1,0,0,0|3,0,0]=4 297 B14R1.716 CN(CF)CCOCc1ccccc1 adbd2edb891345abe73145a4e163b2f4 [0,0,1,0,0,0|1,0,0]=2 298 B14R1.716 CN(CO)CCCOc1ccccc1 6ac9f83d4703857500dfa396d716c14a [0,0,1,0,0,0|3,0,0]=4 299 B14R1.716 CN(CO)CCOCc1ccccc1 c0c1fc065e3711c9341cd24fd3e92e89 [0,0,1,0,0,0|1,0,0]=2 300 B14R1.716 CNC(=O)CCOCc1ccccc1 25806a3bad3be542adab233ed89da556 [0,0,1,0,0,0|3,0,0]=4 301 B14R1.716 COC(=O)CCOCc1ccccc1 720139a395124458bc3df3289a604b84 [0,0,1,0,0,0|3,0,0]=4 302 B14R1.716 COC(C)CCOCc1ccccc1 ea0ce644467af4d793626b2c0f37077d [0,0,1,0,0,0|2,0,0]=3 303 B14R1.716 COC(C)CCOCc1ccccn1 dc8c40981ab7d26b68137f388493f828 [0,0,1,0,0,0|3,0,0]=4 304 B14R1.716 COC(C)CCOCc1cccnc1 e9e9fe4563868a783651a80ce575362a [0,0,1,0,0,0|3,0,0]=4 305 B14R1.716 C[C@@H](CO)CCNCc1ccccc1 6f807b18d41f7d784ce694423630eb14 [0,0,1,0,0,0|3,0,0]=4 306 B14R1.716 C[C@@H](CO)NCOCc1ccccc1 17ace50f01e26b34cd11cde3643c9b62 [0,0,1,0,0,0|3,0,0]=4 307 B14R1.716 C[C@H](CO)NCOCc1ccccc1 20733aed15f68df7e2e0ff6f3d9efa30 [0,0,1,0,0,0|3,0,0]=4 308 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 9f8582c2d1307df724f5d1ed06f64b39 [0,0,1,0,0,0|3,0,0]=4 309 B16R2.35 CC1CCCC(C1C)Nc2ccccc2 46da0e3c31fee1b474bc673a379c787a [0,0,0,0,0,1|2,0,0]=3 310 B16R2.35 CC1CCCC(C1C)Nc2cccnc2 9092721059e71d2165e6942f3a851b2a [0,0,0,0,0,1|3,0,0]=4 311 B13R1.42 C#CCN(C)CCc1ccccc1 eee59183f04633b9feade53e582fa207 [1,0,1,0,0,0|1,0,1]=4 312 B13R1.42 C=CCN(C)CCc1ccccc1 e3a976f7e1831649e9d77b225b1ffc7b [1,0,1,0,0,0|1,0,1]=4 313 B13R1.42 CC(CCO)CNc1ccccc1 1cbf2b82d6cb29848f970040e61bb301 [1,0,1,0,0,0|2,0,0]=4 314 B13R1.42 CC(CCO)NCc1ccccc1 2d704fb14f90482b2a98956731d04e1c [1,0,1,0,0,0|2,0,0]=4 315 B13R1.42 CC(CCc1ccccc1)NCO 573731d8365bcd386dcb0a75723b31f9 [1,0,1,0,0,0|2,0,0]=4 316 B13R1.42 CCCN(C)CCc1ccccc1 a41beb51cc343624f1c890785f4bdd38 [1,0,1,0,0,0|1,0,0]=3 317 B13R1.42 CCCN(C)CCc1ccccn1 9d41cae91559775116f2c67bba968325 [1,0,1,0,0,0|2,0,0]=4 318 B13R1.42 CCCN(C)CCc1cccnc1 96a3682f00487bb288ecb76c14cca66f [1,0,1,0,0,0|2,0,0]=4 319 B13R1.42 CCCN(C)CCc1ccncc1 88ff6e856f3cadb879b79cc36f17ad55 [1,0,1,0,0,0|2,0,0]=4 320 B13R1.42 CN(CC#N)CCc1ccccc1 fd5f8532536f4fe062678e26044496c1 [1,0,1,0,0,0|1,0,1]=4 321 B13R1.42 CN(CC=O)CCc1ccccc1 41bbf4a6bcb8e065d52edf61eb677740 [1,0,1,0,0,0|0,0,2]=4 322 B13R1.42 CN(CCF)CCc1ccccc1 1781394fa8b0991b0b61fe822c9dd8d3 [1,0,1,0,0,0|1,0,0]=3 323 B13R1.42 CN(CCF)CCc1ccccn1 ce0c1551ccb1a752e9301d7dfe2f0eb7 [1,0,1,0,0,0|2,0,0]=4 324 B13R1.42 CN(CCF)CCc1cccnc1 e551c941ef62e4bb57a32f2bb5bb5814 [1,0,1,0,0,0|2,0,0]=4 325 B13R1.42 CN(CCF)CCc1ccncc1 69658119577c09aee0ef5bcc414f5a87 [1,0,1,0,0,0|2,0,0]=4 326 B13R1.42 CN(CCO)CCc1ccccc1 4c669cc510b57787c8bc9fcbecf75376 [1,0,1,0,0,0|0,0,0]=2 327 B13R1.42 CN(CCO)CCc1ccccn1 151354c1cac05e71f825dfc42a6dd998 [1,0,1,0,0,0|1,0,0]=3 328 B13R1.42 CN(CCO)CCc1cccnc1 0d0d5bbae9e923fcd28bc0946c8a9260 [1,0,1,0,0,0|1,0,0]=3 329 B13R1.42 CN(CCO)CCc1ccncc1 20f566599d36546e7b25000efa420215 [1,0,1,0,0,0|1,0,0]=3 330 B13R1.42 CN(CCS)CCc1ccccc1 d45b47e6351da8dae4096dc30623fdf0 [1,0,1,0,0,0|0,1,0]=3 331 B13R1.42 CN(CCS)CCc1ccccn1 5044cea88d6b8c3a06913f25295d2093 [1,0,1,0,0,0|1,1,0]=4 332 B13R1.42 CN(CCS)CCc1cccnc1 41837343e9939003790382e0af23088c [1,0,1,0,0,0|1,1,0]=4 333 B13R1.42 CN(CCS)CCc1ccncc1 3bc75dff825e0878aea51111ddf7b592 [1,0,1,0,0,0|1,1,0]=4 334 B13R1.42 COCN(C)CCc1ccccc1 e7d3165b0b61bc462d79ae1576fa1ba9 [1,0,1,0,0,0|2,0,0]=4 335 B13R1.42 CSCN(C)CCc1ccccc1 9944bfe9badd870ea5b4a03d98255fd2 [1,0,1,0,0,0|2,0,0]=4 336 B13R1.42 C[C@@H](CCO)NCc1ccccc1 bc3866dbf49e39f228cb674cbc1bec8b [1,0,1,0,0,0|2,0,0]=4 337 B13R1.42 C[C@@H](CCc1ccccc1)NCO 3759c1278ce61f38b6db3ceb186b0f09 [1,0,1,0,0,0|2,0,0]=4 338 B13R1.42 C[C@H](CCO)NCc1ccccc1 8b0dda9ac626523e27cea0e3830dbd74 [1,0,1,0,0,0|2,0,0]=4 339 B13R1.42 C[C@H](CCc1ccccc1)NCO 2e4b0b7de21d868ecf19e6198b53feec [1,0,1,0,0,0|2,0,0]=4 340 B13R1.44 CC(CCCO)Nc1ccccc1 f20bb93ce6f40cf58cacb8aee4b19b92 [1,0,1,0,0,0|2,0,0]=4 341 B13R1.44 CC(Cc1ccccc1)OCCF 40c0d1fb211b589ef3fa26aebde3a13f [1,0,1,0,0,0|2,0,0]=4 342 B13R1.44 CC(Cc1ccccc1)OCCS eee651bccc078c60c2c124960fd1edd5 [1,0,1,0,0,0|1,1,0]=4 343 B13R1.44 CC(Cc1ccccn1)NCCF 527ade0f5304db944420a1847e79e654 [1,0,1,0,0,0|2,0,0]=4 344 B13R1.44 CC(Cc1ccccn1)NCCO ba264b17215bdb75982180f401b19fbd [1,0,1,0,0,0|1,0,0]=3 345 B13R1.44 CC(Cc1ccccn1)NCCS 5c574e494cfea2c911455fefb02e7cc9 [1,0,1,0,0,0|1,1,0]=4 346 B13R1.44 CC(Cc1cccnc1)NCCF 6e0d57fb8d7d365f7554051bf98041e9 [1,0,1,0,0,0|2,0,0]=4 347 B13R1.44 CC(Cc1cccnc1)NCCO 735196b1b0c2bd53362947f808d932cf [1,0,1,0,0,0|1,0,0]=3 348 B13R1.44 CC(Cc1cccnc1)NCCS de95198e15ada8265e8f6fb17b9ff99f [1,0,1,0,0,0|1,1,0]=4 349 B13R1.44 CC(Cc1ccncc1)NCCF 1dbfb9ab3307b30e610a5158b4499828 [1,0,1,0,0,0|2,0,0]=4 350 B13R1.44 CC(Cc1ccncc1)NCCO ed3834d4786dae22bd4e8189fa17c295 [1,0,1,0,0,0|1,0,0]=3 351 B13R1.44 CC(Cc1ccncc1)NCCS d0bc3797e2f1692c57c9b91362839704 [1,0,1,0,0,0|1,1,0]=4 352 B13R1.44 CC(Cc1cnccn1)NCCO 3cdfa5d87d99d6912ce2b0be2b045f86 [1,0,1,0,0,0|2,0,0]=4 353 B13R1.44 CCCNC(C)Cc1ccccn1 08a9ae499a0ab2b3686ed9f796aeb713 [1,0,1,0,0,0|2,0,0]=4 354 B13R1.44 CCCNC(C)Cc1cccnc1 d3783f138eefc7174b8325666f11aae7 [1,0,1,0,0,0|2,0,0]=4 355 B13R1.44 CCCNC(C)Cc1ccncc1 ed6140f88e422fed342ce366cb4c481d [1,0,1,0,0,0|2,0,0]=4 356 B13R1.44 CCCOC(C)Cc1ccccc1 0d6e3fc488ed6570a7168edeaecd186c [1,0,1,0,0,0|2,0,0]=4 357 B13R1.44 CCCO[C@@H](C)Cc1ccccc1 3b4dd1b88c8a6095ff95285b4bf0c213 [1,0,1,0,0,0|2,0,0]=4 358 B13R1.44 CCCO[C@H](C)Cc1ccccc1 86496af3292741ec4d8a65d7a8599233 [1,0,1,0,0,0|2,0,0]=4 359 B13R1.44 CN(CCCO)Cc1ccccc1 ced68969ac84c8705d8561470de9f4ab [1,0,1,0,0,0|2,0,0]=4 360 B13R1.44 C[C@@H](Cc1ccccc1)OCCF adba34a14ed1f92e1af6eb0b6e97a5ec [1,0,1,0,0,0|2,0,0]=4 361 B13R1.44 C[C@@H](Cc1ccccc1)OCCS 5758e84ff221c2386d02535eac8a32e6 [1,0,1,0,0,0|1,1,0]=4 362 B13R1.44 C[C@H](CCCO)Nc1ccccc1 2014e04255bf7ecdb216e4a4e9110808 [1,0,1,0,0,0|2,0,0]=4 363 B13R1.44 C[C@H](Cc1ccccc1)OCCF 18fbc53f40b2dd24993aec64b50307bf [1,0,1,0,0,0|2,0,0]=4 364 B13R1.44 C[C@H](Cc1ccccc1)OCCS 1c77b2735448efeb08b15e0d9fc3458a [1,0,1,0,0,0|1,1,0]=4 365 B13R1.135 CC(CO)N(C)Cc1ccccc1 b2040d31f4919def57cebe2f3b9bcf51 [1,0,1,0,0,0|2,0,0]=4 366 B13R1.135 CC(Cc1ccccn1)N(C)CF 5942b073e8bb2598e2e6c29504e0fb67 [1,0,1,0,0,0|2,0,0]=4 367 B13R1.135 CC(Cc1ccccn1)N(C)CO 1bac6048c7537564e8f18bba48e0962a [1,0,1,0,0,0|1,0,0]=3 368 B13R1.135 CC(Cc1cccnc1)N(C)CF b4401fca8af3cfba89f43ecfcf8f6f2e [1,0,1,0,0,0|2,0,0]=4 369 B13R1.135 CC(Cc1cccnc1)N(C)CO 24581cba4f64d54115131f082e0abc43 [1,0,1,0,0,0|1,0,0]=3 370 B13R1.135 CC(Cc1cnccn1)N(C)CO a2d7f84c3432ad37bf05df1152a5d39a [1,0,1,0,0,0|2,0,0]=4 371 B13R1.135 CCC(C)C(C)Nc1ccccc1 73b2cd226841b6348e2e0f4edcd68945 [1,0,1,0,0,0|2,0,0]=4 372 B13R1.135 CCC(C)N(C)Cc1ccccc1 e234f9a3b43c51cdfa21362e0b953970 [1,0,1,0,0,0|2,0,0]=4 373 B13R1.135 CCN(C)C(C)Cc1ccccn1 29e1e980ad7deada42b016bfaf8b7698 [1,0,1,0,0,0|1,0,0]=3 374 B13R1.135 CCN(C)C(C)Cc1cccnc1 b5f8bfaa700ebbc3f6091d0908f8f856 [1,0,1,0,0,0|1,0,0]=3 375 B13R1.135 CCN(C)C(C)Cc1cnccn1 ff8b861f062ae2227f14eaa30f5af1a0 [1,0,1,0,0,0|2,0,0]=4 376 B13R1.135 C[C@@H](CO)N(C)Cc1ccccc1 7445e9b044c2ec7fd2309346654ec286 [1,0,1,0,0,0|2,0,0]=4 377 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 1735f5f3edda1be34df094fd556d944d [1,0,1,0,0,0|2,0,0]=4 378 B13R1.11 CCN(C)CC(=O)c1ccccc1 35f11f1a6f778abbef85229a19e2a61f [1,0,1,0,0,0|0,0,2]=4 379 B13R1.11 CCN(C)CC(O)c1ccccc1 d45ab040335d9c291ff1d0dee78bd157 [1,0,1,0,0,0|0,0,0]=2 380 B13R1.11 CCN(C)CC(O)c1ccncc1 9273c394c3fdf3a9c27474444b1ffa87 [1,0,1,0,0,0|1,0,0]=3 381 B13R1.11 CCN(C)CC(O)c1cnccn1 d0d781e0abcc28766c9a5583568ce9dd [1,0,1,0,0,0|2,0,0]=4 382 B13R1.11 CCN(C)C[C@H](O)c1ccccc1 f912c0d939165dc0f095ac8f10acbab6 [1,0,1,0,0,0|0,0,0]=2 383 B13R1.11 CN(C=O)CC(O)c1ccccc1 90fced2ff5c20b184a913b9c4bc05a79 [1,0,1,0,0,0|1,0,1]=4 384 B13R1.11 CN(C=O)C[C@H](O)c1ccccc1 8ad75ee8fd38591335e54b54c0c7070f [1,0,1,0,0,0|1,0,1]=4 385 B13R1.11 CN(CF)CC(O)c1ccccc1 6044e9a09e29a14190a89ebe0cb6c0ed [1,0,1,0,0,0|1,0,0]=3 386 B13R1.11 CN(CF)CC(O)c1ccncc1 24bab1546fc5555415cf1e5881cee236 [1,0,1,0,0,0|2,0,0]=4 387 B13R1.11 CN(CF)C[C@H](O)c1ccccc1 2cd27be8bf81e10e8ef14649c6ead622 [1,0,1,0,0,0|1,0,0]=3 388 B13R1.11 CN(CO)CC(O)c1ccccc1 55c7d0f76d5ec974a482765492db178d [1,0,1,0,0,0|1,0,0]=3 389 B13R1.11 CN(CO)CC(O)c1ccncc1 627b7aef24024cf785d3dcf3475f4b14 [1,0,1,0,0,0|2,0,0]=4 390 B13R1.11 CN(CO)C[C@H](O)c1ccccc1 c6cc3889b9bff3c54b6be7f32b542a6f [1,0,1,0,0,0|1,0,0]=3 391 B13R1.24 C#CCCOC(C)c1ccccc1 416223c28e59c25eda2986e24e10b6ec [1,0,1,0,0,0|1,0,1]=4 392 B13R1.24 C#CCCO[C@@H](C)c1ccccc1 a1af27862d11871d9b1bc0fca465393c [1,0,1,0,0,0|1,0,1]=4 393 B13R1.24 C#CCCO[C@H](C)c1ccccc1 f4a780bc5832b847b3c100fc7f363c27 [1,0,1,0,0,0|1,0,1]=4 394 B13R1.24 C/C=C/COC(C)c1ccccc1 86eb34f7cf023b9943113b44160c2401 [1,0,1,0,0,0|1,0,1]=4 395 B13R1.24 C/C=C/CO[C@@H](C)c1ccccc1 5b41186167d60f22b6e1df265521d768 [1,0,1,0,0,0|1,0,1]=4 396 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 2bd22cd009cbeccfead3b28c0736ff14 [1,0,1,0,0,0|1,0,1]=4 397 B13R1.24 C/C=C\COC(C)c1ccccc1 e8933c9e95690c28cfa341a626adbe3f [1,0,1,0,0,0|1,0,1]=4 398 B13R1.24 C/C=C\CO[C@@H](C)c1ccccc1 b5c27f5341a874e011e52dcf3823c7e1 [1,0,1,0,0,0|1,0,1]=4 399 B13R1.24 C/C=C\CO[C@H](C)c1ccccc1 5159de5295e739c1e3e6f8b4d9e846ed [1,0,1,0,0,0|1,0,1]=4 400 B13R1.24 C=CCCOC(C)c1ccccc1 814d0d38fe0856ff53dad432d0eb29c0 [1,0,1,0,0,0|1,0,1]=4 401 B13R1.24 C=CCCO[C@@H](C)c1ccccc1 f4fae576539ba60f90f2819c19375704 [1,0,1,0,0,0|1,0,1]=4 402 B13R1.24 C=CCCO[C@H](C)c1ccccc1 e8ac1bcadd14bda57a7fd12422815d14 [1,0,1,0,0,0|1,0,1]=4 403 B13R1.24 CC(OCCC#N)c1ccccc1 49d1e33c954f44468df47b2ced5c540b [1,0,1,0,0,0|2,0,0]=4 404 B13R1.24 CC(OCCC=O)c1ccccc1 42aa8e1eee461db3b6cd142851f20307 [1,0,1,0,0,0|2,0,0]=4 405 B13R1.24 CC(OCCCF)c1ccccc1 da6636e75ac33040de8989875fad3e1e [1,0,1,0,0,0|2,0,0]=4 406 B13R1.24 CC(OCCCS)c1ccccc1 73d023d8f78e1d608d7c4c459a4426b8 [1,0,1,0,0,0|2,0,0]=4 407 B13R1.24 CCCCNC(C)c1ccccc1 ba9da65c92ba7fc468e0c4b78ba99ccc [1,0,1,0,0,0|2,0,0]=4 408 B13R1.24 CCCCN[C@@H](C)c1ccccc1 57b5e3ebff75ef31a64a222a6226a276 [1,0,1,0,0,0|2,0,0]=4 409 B13R1.24 CCCCN[C@H](C)c1ccccc1 24dfb549a40c55400336ed3b2bc45c90 [1,0,1,0,0,0|2,0,0]=4 410 B13R1.24 CCCCOC(C)c1ccccc1 116618646832f472e55dfbe2113618bc [1,0,1,0,0,0|1,0,0]=3 411 B13R1.24 CCCCOC(C)c1ccccn1 d8d8b1fdb7e1679deff0be9f2bd1add7 [1,0,1,0,0,0|2,0,0]=4 412 B13R1.24 CCCCOC(C)c1cccnc1 d8d90c22c3ac47c5d360edf0db3a22b7 [1,0,1,0,0,0|2,0,0]=4 413 B13R1.24 CCCCOC(C)c1ccncc1 af66dccbcb79f0de6dd1cbff2bc9aad3 [1,0,1,0,0,0|2,0,0]=4 414 B13R1.24 CCCCO[C@@H](C)c1ccccc1 93a610cc42c8d64b3ebf86e26c026ac9 [1,0,1,0,0,0|1,0,0]=3 415 B13R1.24 CCCCO[C@@H](C)c1ccccn1 106781f495bc53bb4686d7b599400a73 [1,0,1,0,0,0|2,0,0]=4 416 B13R1.24 CCCCO[C@@H](C)c1cccnc1 c5babf5ce2d39050f077b08eebdf6564 [1,0,1,0,0,0|2,0,0]=4 417 B13R1.24 CCCCO[C@@H](C)c1ccncc1 60f517e41e44a93a4ad6cb2cf0c3e50e [1,0,1,0,0,0|2,0,0]=4 418 B13R1.24 CCCCO[C@H](C)c1ccccc1 11ad6d63bfec5cb3281b9eb95b5e04f0 [1,0,1,0,0,0|1,0,0]=3 419 B13R1.24 CCCCO[C@H](C)c1ccccn1 f68f52c8b361bf4c92ec03a37fb11380 [1,0,1,0,0,0|2,0,0]=4 420 B13R1.24 CCCCO[C@H](C)c1cccnc1 4b0959b6d4020e1c900887a52003f1b4 [1,0,1,0,0,0|2,0,0]=4 421 B13R1.24 CCCCO[C@H](C)c1ccncc1 fb806943dc0c52c04200eff617e0bc47 [1,0,1,0,0,0|2,0,0]=4 422 B13R1.24 COCCNC(C)c1ccccc1 c2cdf9a7d68c2b14dbc1f47818328785 [1,0,1,0,0,0|2,0,0]=4 423 B13R1.24 COCCN[C@@H](C)c1ccccc1 3d6e84133668a2c88f91040a51faba59 [1,0,1,0,0,0|2,0,0]=4 424 B13R1.24 COCCN[C@H](C)c1ccccc1 070b4ca2a1a16c22225dae328c415de7 [1,0,1,0,0,0|2,0,0]=4 425 B13R1.24 COCCOC(C)c1ccccc1 4eda4eb3d7f458c7b1efd0302710d954 [1,0,1,0,0,0|1,0,0]=3 426 B13R1.24 COCCOC(C)c1ccccn1 fe3e606a6befde9299ade7792122176f [1,0,1,0,0,0|2,0,0]=4 427 B13R1.24 COCCOC(C)c1cccnc1 e93fede31c4f639f34b010532dea987d [1,0,1,0,0,0|2,0,0]=4 428 B13R1.24 COCCOC(C)c1ccncc1 a8b42108f03d2e82791271f75fc69607 [1,0,1,0,0,0|2,0,0]=4 429 B13R1.24 COCCO[C@@H](C)c1ccccc1 c4708c03f597f180562f17c23f61a0f0 [1,0,1,0,0,0|1,0,0]=3 430 B13R1.24 COCCO[C@@H](C)c1ccccn1 417864c41f496f2b73bc3a620c435875 [1,0,1,0,0,0|2,0,0]=4 431 B13R1.24 COCCO[C@@H](C)c1cccnc1 85eac17e503a96af4812212f99e637c7 [1,0,1,0,0,0|2,0,0]=4 432 B13R1.24 COCCO[C@@H](C)c1ccncc1 5726676c009ba83f52214f3452e3f8fb [1,0,1,0,0,0|2,0,0]=4 433 B13R1.24 COCCO[C@H](C)c1ccccc1 dc187aa1e60f01c074c0643788e8e1ed [1,0,1,0,0,0|1,0,0]=3 434 B13R1.24 COCCO[C@H](C)c1ccccn1 10f781b6ba68b87d15e9f423515f4ed1 [1,0,1,0,0,0|2,0,0]=4 435 B13R1.24 COCCO[C@H](C)c1cccnc1 bcd9d2134c061eede7dd1437bbf64dec [1,0,1,0,0,0|2,0,0]=4 436 B13R1.24 COCCO[C@H](C)c1ccncc1 2db05eded2f629fe941c8818222fe8dd [1,0,1,0,0,0|2,0,0]=4 437 B13R1.24 CSCCNC(C)c1ccccc1 cb2710bbb1863e422cacbcdfa29043b3 [1,0,1,0,0,0|2,0,0]=4 438 B13R1.24 CSCCN[C@@H](C)c1ccccc1 e1d4d63ca98297e3a741380b222379e5 [1,0,1,0,0,0|2,0,0]=4 439 B13R1.24 CSCCN[C@H](C)c1ccccc1 e79e5bfe51901f7fde96679e7cad33c7 [1,0,1,0,0,0|2,0,0]=4 440 B13R1.24 CSCCOC(C)c1ccccc1 6e6c64ccd8ec19b44304bbd6ee665b03 [1,0,1,0,0,0|1,0,0]=3 441 B13R1.24 CSCCOC(C)c1ccccn1 11287f48f8f73b8962000d0f8cf0f85a [1,0,1,0,0,0|2,0,0]=4 442 B13R1.24 CSCCOC(C)c1cccnc1 0adc80fdcd57beaeeb818275d0cf7c19 [1,0,1,0,0,0|2,0,0]=4 443 B13R1.24 CSCCOC(C)c1ccncc1 39bacfc7afc4da2a55b3b269b6487bc4 [1,0,1,0,0,0|2,0,0]=4 444 B13R1.24 CSCCO[C@@H](C)c1ccccc1 e19c25ae9a5b36339342948c99b13ae5 [1,0,1,0,0,0|1,0,0]=3 445 B13R1.24 CSCCO[C@@H](C)c1ccccn1 94448e3d365603dabccf356746f6b2af [1,0,1,0,0,0|2,0,0]=4 446 B13R1.24 CSCCO[C@@H](C)c1cccnc1 3a47dca3458d91e2fe2bd7791af7fff9 [1,0,1,0,0,0|2,0,0]=4 447 B13R1.24 CSCCO[C@@H](C)c1ccncc1 1b2dac975f17cc58cc6927ed61736ef7 [1,0,1,0,0,0|2,0,0]=4 448 B13R1.24 CSCCO[C@H](C)c1ccccc1 e2b65e08fdc1fe59baafd7046d39c4fe [1,0,1,0,0,0|1,0,0]=3 449 B13R1.24 CSCCO[C@H](C)c1ccccn1 aa75f45c45b2bda0e0c44f44ef59e643 [1,0,1,0,0,0|2,0,0]=4 450 B13R1.24 CSCCO[C@H](C)c1cccnc1 2dc8cd754b1a702067476e6f7c72ecda [1,0,1,0,0,0|2,0,0]=4 451 B13R1.24 CSCCO[C@H](C)c1ccncc1 d37e4fa7a75d669f10c3f42d5cf06368 [1,0,1,0,0,0|2,0,0]=4 452 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 216c04c4bba48c5f65a4de132eb0fb2c [1,0,1,0,0,0|2,0,0]=4 453 B13R1.24 C[C@@H](OCCC=O)c1ccccc1 628d5109a4f063acb2a5ee9afc7283f3 [1,0,1,0,0,0|2,0,0]=4 454 B13R1.24 C[C@@H](OCCCF)c1ccccc1 3b543601bb26cccb69be38b500af6085 [1,0,1,0,0,0|2,0,0]=4 455 B13R1.24 C[C@@H](OCCCS)c1ccccc1 ae96e9b0fd3eff44194d70b9add97b2f [1,0,1,0,0,0|2,0,0]=4 456 B13R1.24 C[C@H](OCCC#N)c1ccccc1 ec34857642511a0e2c0bb0d429e22900 [1,0,1,0,0,0|2,0,0]=4 457 B13R1.24 C[C@H](OCCC=O)c1ccccc1 83a2fd5bb1e77fe3af18df482e7c4725 [1,0,1,0,0,0|2,0,0]=4 458 B13R1.24 C[C@H](OCCCF)c1ccccc1 59e3eb993feab5d5c53b054ac83e6316 [1,0,1,0,0,0|2,0,0]=4 459 B13R1.24 C[C@H](OCCCS)c1ccccc1 d75904c4401b78653bc0213f295ecc4d [1,0,1,0,0,0|2,0,0]=4 460 B13R1.26 C#CC(OCCC)c1ccccc1 dcc288e8d190b4f2b3075024bd10290b [1,0,1,0,0,0|0,0,2]=4 461 B13R1.26 C#CCOC(CC)c1ccccc1 a6fc8f7a1a45ed2ab013e6373801e303 [1,0,1,0,0,0|0,0,2]=4 462 B13R1.26 C#CCO[C@@H](CC)c1ccccc1 d970af0f14e770649c49bb2fc79410dd [1,0,1,0,0,0|0,0,2]=4 463 B13R1.26 C#CCO[C@H](CC)c1ccccc1 95fca75cc64b279f8207a499fdcac2b8 [1,0,1,0,0,0|0,0,2]=4 464 B13R1.26 C#C[C@@H](OCCC)c1ccccc1 1273ce1ca3c01032ab728f040e8552b8 [1,0,1,0,0,0|0,0,2]=4 465 B13R1.26 C#C[C@H](OCCC)c1ccccc1 d74d2dc3bc00f68b8403823299532818 [1,0,1,0,0,0|0,0,2]=4 466 B13R1.26 C=CC(OCCC)c1ccccc1 e2fdf572fe68a7b77d24fc77ef0e2376 [1,0,1,0,0,0|0,0,2]=4 467 B13R1.26 C=CCOC(CC)c1ccccc1 7de1f62c2680919bccf9455a38cd5487 [1,0,1,0,0,0|0,0,2]=4 468 B13R1.26 C=CCO[C@@H](CC)c1ccccc1 9d203c9d49ee6e95dd5c3a11857451fc [1,0,1,0,0,0|0,0,2]=4 469 B13R1.26 C=CCO[C@H](CC)c1ccccc1 016e2b32220fbf5879a090e68c1fe7b4 [1,0,1,0,0,0|0,0,2]=4 470 B13R1.26 CCC(NCCBr)c1ccccc1 a495e817d218dc7813e781deb4c06a23 [1,0,1,0,0,0|2,0,0]=4 471 B13R1.26 CCC(NCCF)c1ccccc1 fb170fdbae56f1668cb23b55fcc42587 [1,0,1,0,0,0|2,0,0]=4 472 B13R1.26 CCC(NCCI)c1ccccc1 41bf0f90427caf46fcc9c623527c33e0 [1,0,1,0,0,0|2,0,0]=4 473 B13R1.26 CCC(NCCO)c1ccccc1 6f6ce25867b2a64da2a726b2cd5981a0 [1,0,1,0,0,0|2,0,0]=4 474 B13R1.26 CCC(NCCS)c1ccccc1 5e498a177f0cd8dee91132089099bb2a [1,0,1,0,0,0|2,0,0]=4 475 B13R1.26 CCC(NCOC)c1ccccc1 60e43859e010152a4c705144601e9e37 [1,0,1,0,0,0|2,0,0]=4 476 B13R1.26 CCC(NCSC)c1ccccc1 43bda086655251f5ebf109c6a7aea714 [1,0,1,0,0,0|2,0,0]=4 477 B13R1.26 CCC(OCC#N)c1ccccc1 bc4d89bf6d161deade8c190c1f9b5fae [1,0,1,0,0,0|0,0,2]=4 478 B13R1.26 CCC(OCC=O)c1ccccc1 22d631f4381eac13072af35245e75c82 [1,0,1,0,0,0|1,0,1]=4 479 B13R1.26 CCC(OCCF)c1ccccc1 5bb9124b9ef37aaf6a1284fe60a908d5 [1,0,1,0,0,0|1,0,0]=3 480 B13R1.26 CCC(OCCS)c1ccccc1 68bf3b4fd79a862466b9d344b2738804 [1,0,1,0,0,0|1,0,0]=3 481 B13R1.26 CCC(OCOC)c1ccccc1 f775411a5055d114a8235f46674da3cc [1,0,1,0,0,0|1,0,0]=3 482 B13R1.26 CCC(OCSC)c1ccccc1 9b96192dd1c6c8870f52b18d100fe29a [1,0,1,0,0,0|1,0,0]=3 483 B13R1.26 CCCNC(CC)c1ccccc1 57b82492286db168151e193d20f7132d [1,0,1,0,0,0|1,0,0]=3 484 B13R1.26 CCCNC(CC)c1ccccn1 2f7422dff4aabf7298320c423f331dd6 [1,0,1,0,0,0|2,0,0]=4 485 B13R1.26 CCCNC(CC)c1cccnc1 4c32138d7836cae5e70905dd20589273 [1,0,1,0,0,0|2,0,0]=4 486 B13R1.26 CCCNC(CC)c1ccncc1 9971a8f1b0837d7b4d000e36edd9cb37 [1,0,1,0,0,0|2,0,0]=4 487 B13R1.26 CCCNC(CO)c1ccccc1 117ad37e3d581441e43789c848e8c34d [1,0,1,0,0,0|2,0,0]=4 488 B13R1.26 CCCN[C@@H](CC)c1ccccc1 b6f2cf87f587029f64d67b4f4bbd957c [1,0,1,0,0,0|1,0,0]=3 489 B13R1.26 CCCN[C@@H](CC)c1ccccn1 103bc52cffca69305928c6a2d9d18c9e [1,0,1,0,0,0|2,0,0]=4 490 B13R1.26 CCCN[C@@H](CC)c1ccncc1 5105b09e5540ae142e7ed9bc7b745127 [1,0,1,0,0,0|2,0,0]=4 491 B13R1.26 CCCN[C@@H](CF)c1ccccc1 c8bb9c003f1e82021556cab9f8bbec34 [1,0,1,0,0,0|2,0,0]=4 492 B13R1.26 CCCN[C@@H](CO)c1ccccc1 b58d20706c65aab2d0af6149b8724974 [1,0,1,0,0,0|2,0,0]=4 493 B13R1.26 CCCN[C@H](CC)c1ccccc1 b5dfa6c7f63b627d52458b08bd2cf253 [1,0,1,0,0,0|1,0,0]=3 494 B13R1.26 CCCN[C@H](CC)c1ccccn1 509bf16319e6d065d265cff005af9eae [1,0,1,0,0,0|2,0,0]=4 495 B13R1.26 CCCN[C@H](CO)c1ccccc1 da6248e2b95c39b8cd16562af1391178 [1,0,1,0,0,0|2,0,0]=4 496 B13R1.26 CCCOC(C#N)c1ccccc1 d5acd267bdbb34561413331016f8aa92 [1,0,1,0,0,0|1,0,1]=4 497 B13R1.26 CCCOC(CC)c1ccccc1 386e882a562a78a36cb1f7db4b9582fe [1,0,1,0,0,0|0,0,0]=2 498 B13R1.26 CCCOC(CF)c1ccccc1 778fa439d34b8cf619166518cbc4be13 [1,0,1,0,0,0|1,0,0]=3 499 B13R1.26 CCCO[C@@H](C#N)c1ccccc1 1de7e66b61bda39f65b117aa9042d733 [1,0,1,0,0,0|1,0,1]=4 500 B13R1.26 CCCO[C@@H](CC)c1ccccc1 d141b7596330092af1578ccdeb86f1c9 [1,0,1,0,0,0|0,0,0]=2 501 B13R1.26 CCCO[C@H](CC)c1ccccc1 2d89d74041ebd27623bd5bbb107e0a8b [1,0,1,0,0,0|0,0,0]=2 502 B13R1.26 CCCO[C@H](CF)c1ccccc1 95b4751da110bf096d4694ac905ea12a [1,0,1,0,0,0|1,0,0]=3 503 B13R1.26 CCN(CCOC)c1ccccc1 2f04832ff10cabe399139a1d6ef2ae28 [1,0,1,0,0,0|2,0,0]=4 504 B13R1.26 CCN(CCSC)c1ccccc1 ecc7687894198f1fa284ca31825c3837 [1,0,1,0,0,0|2,0,0]=4 505 B13R1.26 CCOCC(CC)c1ccccc1 bbe4e3553f9e2e9733717aa13f476854 [1,0,1,0,0,0|2,0,0]=4 506 B13R1.26 CC[C@@H](NCCF)c1ccccc1 e7abb0db27777e6c9d89ffa71ffc8212 [1,0,1,0,0,0|2,0,0]=4 507 B13R1.26 CC[C@@H](NCCO)c1ccccc1 b308386d8bed8dbbab22b47a4331c4c2 [1,0,1,0,0,0|2,0,0]=4 508 B13R1.26 CC[C@@H](NCCS)c1ccccc1 efbcd1e5b3838ae21016feee83c59b4c [1,0,1,0,0,0|2,0,0]=4 509 B13R1.26 CC[C@@H](NCOC)c1ccccc1 918444429aba744416aef0f4b29c200d [1,0,1,0,0,0|2,0,0]=4 510 B13R1.26 CC[C@@H](NCSC)c1ccccc1 97c862d4eda53bbf7299ab22a46a9749 [1,0,1,0,0,0|2,0,0]=4 511 B13R1.26 CC[C@@H](OCC#N)c1ccccc1 f155cafcc94ad4739658b5579e227d33 [1,0,1,0,0,0|0,0,2]=4 512 B13R1.26 CC[C@@H](OCC=O)c1ccccc1 ff4d6fdd39d62cd4dd5fbc1780fcd463 [1,0,1,0,0,0|1,0,1]=4 513 B13R1.26 CC[C@@H](OCCF)c1ccccc1 72c3f45d58b4d36ff1ba570cf30b2c42 [1,0,1,0,0,0|1,0,0]=3 514 B13R1.26 CC[C@@H](OCCS)c1ccccc1 a6b9ad7d342b6e8f61dca8e38762359f [1,0,1,0,0,0|1,0,0]=3 515 B13R1.26 CC[C@@H](OCOC)c1ccccc1 4b633f127bf76346ce097d6ac89ac8fd [1,0,1,0,0,0|1,0,0]=3 516 B13R1.26 CC[C@@H](OCSC)c1ccccc1 8b80790882f9347d156804e1595be36e [1,0,1,0,0,0|1,0,0]=3 517 B13R1.26 CC[C@H](NCCF)c1ccccc1 02383b94df948647add879050375728c [1,0,1,0,0,0|2,0,0]=4 518 B13R1.26 CC[C@H](NCCO)c1ccccc1 bd38bbf59fb08005243376b12639a639 [1,0,1,0,0,0|2,0,0]=4 519 B13R1.26 CC[C@H](NCCS)c1ccccc1 006b8e7ea5bb1bc1c66fd9e1f7b16f22 [1,0,1,0,0,0|2,0,0]=4 520 B13R1.26 CC[C@H](NCOC)c1ccccc1 872d56e21abb248779575e61d0dc78b2 [1,0,1,0,0,0|2,0,0]=4 521 B13R1.26 CC[C@H](NCSC)c1ccccc1 4e4afdd2b51b96a25cc6ac26c27e6843 [1,0,1,0,0,0|2,0,0]=4 522 B13R1.26 CC[C@H](OCC#N)c1ccccc1 4c48e2ae28519fb46eb29d130b4ef908 [1,0,1,0,0,0|0,0,2]=4 523 B13R1.26 CC[C@H](OCC=O)c1ccccc1 151015fabcf1f0f05e31ab274278f1ef [1,0,1,0,0,0|1,0,1]=4 524 B13R1.26 CC[C@H](OCCF)c1ccccc1 da6d683a0fb694a10f2c98bb47edfc99 [1,0,1,0,0,0|1,0,0]=3 525 B13R1.26 CC[C@H](OCCS)c1ccccc1 10b38911a5a30799f51b85b1590e8fc7 [1,0,1,0,0,0|1,0,0]=3 526 B13R1.26 CC[C@H](OCOC)c1ccccc1 2766737079469ae997e70530807e8d85 [1,0,1,0,0,0|1,0,0]=3 527 B13R1.26 CC[C@H](OCSC)c1ccccc1 668ed291c9eafa17e55c61ff024199aa [1,0,1,0,0,0|1,0,0]=3 528 B13R1.26 COCOC(CF)c1ccccc1 8801fb34d98757ebd3c36999d840490e [1,0,1,0,0,0|2,0,0]=4 529 B13R1.26 COCO[C@H](CF)c1ccccc1 17d411770c823149db6cb6c615a4e300 [1,0,1,0,0,0|2,0,0]=4 530 B13R1.26 CSCOC(CF)c1ccccc1 f5e82a8e77bf56f3695c2bf7f773717f [1,0,1,0,0,0|2,0,0]=4 531 B13R1.26 CSCO[C@H](CF)c1ccccc1 497fafbd85c31d2f9db702e24b309f85 [1,0,1,0,0,0|2,0,0]=4 532 B13R1.26 FCC(OCCS)c1ccccc1 f14128ab74a731ffe2db33f9a17766b0 [1,0,1,0,0,0|2,0,0]=4 533 B13R1.26 FCCOC(CF)c1ccccc1 df9286c85f4065f9a35afcbbea9feeae [1,0,1,0,0,0|2,0,0]=4 534 B13R1.26 FCCO[C@H](CF)c1ccccc1 9957d8d4e96c7f4027257ae5a09c0d92 [1,0,1,0,0,0|2,0,0]=4 535 B13R1.26 FC[C@@H](OCCS)c1ccccc1 4da4cfa247a5fc6e4fcd193056ba2da9 [1,0,1,0,0,0|2,0,0]=4 536 B13R1.26 SCCOC(CS)c1ccccc1 477237e5b5d9e36f346c4c759b492e11 [1,0,1,0,0,0|2,0,0]=4 537 B13R1.398 C#CCC(OCC)c1ccccc1 1dae7551cf566ec05aa7ad0fae0d6bc4 [1,0,1,0,0,0|1,0,1]=4 538 B13R1.398 C=CCC(OCC)c1ccccc1 a4657ed7da3cce6d02fc90b54c66bb6b [1,0,1,0,0,0|1,0,1]=4 539 B13R1.398 CCCC(NCC)c1ccccc1 efc1934e8ac0e9eaf0d234978f9d0c0c [1,0,1,0,0,0|2,0,0]=4 540 B13R1.398 CCCC(OCC)c1ccccc1 1cc1a4cc3f334b214c9cb547ca17caa9 [1,0,1,0,0,0|1,0,0]=3 541 B13R1.398 CCCC(OCF)c1ccccc1 7630e368d3b7be22c06f8db98f3a3854 [1,0,1,0,0,0|2,0,0]=4 542 B13R1.398 CCC[C@@H](NCC)c1ccccc1 d3993ac1fe7d1000481f66e09a619792 [1,0,1,0,0,0|2,0,0]=4 543 B13R1.398 CCC[C@@H](OCC)c1ccccc1 38fac7afa3522c365d281f27829e3da9 [1,0,1,0,0,0|1,0,0]=3 544 B13R1.398 CCC[C@@H](OCF)c1ccccc1 b600c1c84e7df60b30991a558f914901 [1,0,1,0,0,0|2,0,0]=4 545 B13R1.398 CCC[C@H](NCC)c1ccccc1 14f7e6a73494f1a6eea5a519e3fe28e7 [1,0,1,0,0,0|2,0,0]=4 546 B13R1.398 CCC[C@H](OCC)c1ccccc1 c3efcc6ce5a488ec88cbb48dde6ce64c [1,0,1,0,0,0|1,0,0]=3 547 B13R1.398 CCC[C@H](OCF)c1ccccc1 9dc7ca1fe8419121f5ca50300ab8a74e [1,0,1,0,0,0|2,0,0]=4 548 B13R1.398 CCNC(COC)c1ccccc1 0b06c193b0a1efc5d6e1f6faf0767fe1 [1,0,1,0,0,0|2,0,0]=4 549 B13R1.398 CCN[C@@H](COC)c1ccccc1 768dbfe514aab97f88bb6c78f6b0bf87 [1,0,1,0,0,0|2,0,0]=4 550 B13R1.398 CCN[C@H](COC)c1ccccc1 d202722122e916c8e6e7a31aa145020b [1,0,1,0,0,0|2,0,0]=4 551 B13R1.398 CCOC(CC#N)c1ccccc1 2bbb28c9c7213946a1986d74269d5084 [1,0,1,0,0,0|2,0,0]=4 552 B13R1.405 CC(C)C(NCO)c1ccccc1 07de733553453cfe8576721a28d22697 [1,0,1,0,0,0|2,0,0]=4 553 B13R1.405 CC(C)C(OCF)c1cccnc1 8dae260b884c7f842ddf11f6df2ee2f9 [1,0,1,0,0,0|2,0,0]=4 554 B13R1.405 CC(C)[C@@H](NCO)c1ccccc1 55249c4e59a4f4ba5caf32b3fb2c6fc4 [1,0,1,0,0,0|2,0,0]=4 555 B13R1.405 CC(C)[C@H](NCO)c1ccccc1 7b2f227d3ed432baf39efac7bfeab67c [1,0,1,0,0,0|2,0,0]=4 556 B13R1.405 CCNC(c1ccccc1)C(C)C b59bdf62bf1823d4ac621438087875da [1,0,1,0,0,0|1,0,0]=3 557 B13R1.405 CCNC(c1ccccc1)C(C)O 988d7623da86c7523910834be7c2cbf2 [1,0,1,0,0,0|2,0,0]=4 558 B13R1.405 CCNC(c1ccccn1)C(C)C 69f280ed989a480e6c8e4009d6b33f89 [1,0,1,0,0,0|2,0,0]=4 559 B13R1.405 CCNC(c1cccnc1)C(C)C 9441c6342ce889dcb2523f4bf955f0d2 [1,0,1,0,0,0|2,0,0]=4 560 B13R1.405 CCNC(c1ccncc1)C(C)C df9590b1efdb11322aef2cab088cd456 [1,0,1,0,0,0|2,0,0]=4 561 B13R1.405 CCN[C@@H](c1ccccc1)C(C)C 16a72345cfec2784acf07e0d35e5e53e [1,0,1,0,0,0|1,0,0]=3 562 B13R1.405 CCN[C@@H](c1ccccc1)[C@@H](C)O f20ca8406b180490a93f6c7162117bab [1,0,1,0,0,0|2,0,0]=4 563 B13R1.405 CCN[C@@H](c1ccccn1)C(C)C f88e2719adb810111078c1bc139cee63 [1,0,1,0,0,0|2,0,0]=4 564 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 181aa7a59d98b9cd3ee9d00dfa22451a [1,0,1,0,0,0|1,0,0]=3 565 B13R1.405 CCN[C@H](c1ccccc1)[C@H](C)O 6991d7a1243e3ded31841a19ec54220a [1,0,1,0,0,0|2,0,0]=4 566 B13R1.405 CCN[C@H](c1ccccn1)C(C)C b6e6d4a1097e18d7b255bc17153cd079 [1,0,1,0,0,0|2,0,0]=4 567 B13R1.405 CCOC(C(=O)C)c1ccccc1 978b8a065cefe3dd4c48c28bab1ef6f1 [1,0,1,0,0,0|1,0,1]=4 568 B13R1.405 CCOC(C(=O)N)c1ccccc1 4cadd269f5009a12d685dab928c6328d [1,0,1,0,0,0|1,0,1]=4 569 B13R1.405 CCOC(c1ccccc1)C(F)F 8da5284f5cca73d650f6889df3a1e49a [1,0,1,0,0,0|2,0,0]=4 570 B13R1.405 CCOC(c1cccnc1)C(C)C f86acb3a30e25400750e314358896b16 [1,0,1,0,0,0|1,0,0]=3 571 B13R1.405 CCO[C@@H](C(=O)N)c1ccccc1 93f6fc7d6947450b6bb9e9e3f4e8d071 [1,0,1,0,0,0|1,0,1]=4 572 B13R1.405 CCO[C@H](C(=O)N)c1ccccc1 a51bdf38f41c41f4f543792d8b6211e5 [1,0,1,0,0,0|1,0,1]=4 573 B13R1.28 C/C=C/CCOCc1ccccc1 01e961355a391578e6b988e0f8572f3c [1,0,1,0,0,0|1,0,1]=4 574 B13R1.28 CC#CCCOCc1ccccc1 f343d6a26b15541c56af553035374457 [1,0,1,0,0,0|1,0,1]=4 575 B13R1.28 CC/C=C/COCc1ccccc1 dfb2ae6a0ae6f14a55bfd885fdf0e230 [1,0,1,0,0,0|1,0,1]=4 576 B13R1.28 CC/C=C\COCc1ccccc1 227d9d8dc3d7269476ed2e9ccabe1339 [1,0,1,0,0,0|1,0,1]=4 577 B13R1.28 CCC#CCOCc1ccccc1 7830d2e4ba5efdb871a86b3956f152e9 [1,0,1,0,0,0|1,0,1]=4 578 B13R1.28 CCCCCNCc1ccccc1 ceac33fb77d66ab1855d13c360a20a4d [1,0,1,0,0,0|2,0,0]=4 579 B13R1.28 CCCCCOCc1ccccc1 7cca4ff4b2d15a92f4795dbfa1992899 [1,0,1,0,0,0|1,0,0]=3 580 B13R1.28 CCCCCOCc1ccccn1 0ba417f448bc1245af8da2a6e3d648f6 [1,0,1,0,0,0|2,0,0]=4 581 B13R1.28 CCCCCOCc1cccnc1 cc529a7f196852dcb1bb1033e3a71e59 [1,0,1,0,0,0|2,0,0]=4 582 B13R1.28 CCCCCOCc1ccncc1 0625b58747449f61f7743dde19c0769c [1,0,1,0,0,0|2,0,0]=4 583 B13R1.28 CCNCC/C=C/c1ccccc1 e2a23c0864e33e9b2de6354a72cb9762 [1,0,1,0,0,0|1,0,1]=4 584 B13R1.28 CCNCCCCc1ccccc1 0282fc60fa78241a55156a48d7ec01f1 [1,0,1,0,0,0|1,0,0]=3 585 B13R1.28 CCNCCCCc1ccccn1 a832ea271b925377d62b0f3ab715dda6 [1,0,1,0,0,0|2,0,0]=4 586 B13R1.28 CCNCCCOc1ccccc1 3727f99c3be5d27cfdb90b361ca95f52 [1,0,1,0,0,0|2,0,0]=4 587 B13R1.28 CCNCCOCc1ccccc1 1510815a698923cadc0f69cbfb039804 [1,0,1,0,0,0|0,0,0]=2 588 B13R1.28 CCOCCCCc1ccccc1 ea19cd42cab00d72c00f828af735e7ef [1,0,1,0,0,0|2,0,0]=4 589 B13R1.28 CCOCCNCc1ccccc1 679ae42afd26804642891b83b0c87211 [1,0,1,0,0,0|2,0,0]=4 590 B13R1.28 CCOCCOCc1ccccc1 0e4b7394449b597fb1689d77c822d1e4 [1,0,1,0,0,0|1,0,0]=3 591 B13R1.28 CCOCCOCc1ccccn1 703848015482372a26f98e1a5b640b9c [1,0,1,0,0,0|2,0,0]=4 592 B13R1.28 CCOCCOCc1cccnc1 f1a4aa299bd1069efc4a949dcffc4c72 [1,0,1,0,0,0|2,0,0]=4 593 B13R1.28 CCOCCOCc1ccncc1 979e0a4c730a6570585b4f6e8881fbe0 [1,0,1,0,0,0|2,0,0]=4 594 B13R1.28 CCOCCSCc1ccccc1 e5377b926ac9dc03580517e6b92fbe54 [1,0,1,0,0,0|1,1,0]=4 595 B13R1.28 CCSCCNCc1ccccc1 a1e613372ea8e8dc6aebf316f19b1ac6 [1,0,1,0,0,0|2,0,0]=4 596 B13R1.28 CCSCCOCc1ccccc1 892d64f9c9c2211c658e41916d24cd83 [1,0,1,0,0,0|1,0,0]=3 597 B13R1.28 CCSCCOCc1ccccn1 f60f5598d670187e4d9f5579ffb0f24d [1,0,1,0,0,0|2,0,0]=4 598 B13R1.28 CCSCCOCc1cccnc1 c025382c9c88c52eeea549af18fe5893 [1,0,1,0,0,0|2,0,0]=4 599 B13R1.28 CCSCCOCc1ccncc1 d5638ed089f9e230661298bf9bc55d95 [1,0,1,0,0,0|2,0,0]=4 600 B13R1.28 COCCCOCc1ccccc1 b2314cc7e18905a9d78f5fb2c3c5bf45 [1,0,1,0,0,0|2,0,0]=4 601 B13R1.28 CSCCCOCc1ccccc1 141cb52f7ea1e2af27ad5c61b4835846 [1,0,1,0,0,0|2,0,0]=4 602 B13R1.28 FCCCCOCc1ccccc1 d0a25bd9ee98a1642a8c47d86db8d7c1 [1,0,1,0,0,0|2,0,0]=4 603 B13R1.28 FCNCCCCc1ccccc1 af3ebd28c32ad52bcc3e60f29b4be4f2 [1,0,1,0,0,0|2,0,0]=4 604 B13R1.28 FCNCCOCc1ccccc1 9e6fd216ce38b0cdb29a0546051cc9f3 [1,0,1,0,0,0|1,0,0]=3 605 B13R1.28 FCOCCOCc1ccccc1 3ee67f05d9636d2623d3c26696ca2b2f [1,0,1,0,0,0|2,0,0]=4 606 B13R1.28 N#CNCCOCc1ccccc1 a7c66f44594e6dd3b30893bc3fff9183 [1,0,1,0,0,0|1,0,1]=4 607 B13R1.28 O=CNCCOCc1ccccc1 1abc7faa3b8b627d5b6f216a5781a706 [1,0,1,0,0,0|1,0,1]=4 608 B13R1.28 OCNCCCCc1ccccc1 0dca3c0bea3432493cecd16e9c5bf401 [1,0,1,0,0,0|2,0,0]=4 609 B13R1.28 OCNCCOCc1ccccc1 2841a6a140fe4143920215065f5784cd [1,0,1,0,0,0|1,0,0]=3 610 B13R1.28 OCNCCSCc1ccccc1 deb18bb2c4ad92b6dd6f6f4c2386ade3 [1,0,1,0,0,0|1,1,0]=4 611 B13R1.28 SCCCCOCc1ccccc1 c54a16ae6a3454def5d9cd9a56f5dc07 [1,0,1,0,0,0|2,0,0]=4 612 B13R1.337 C=C(C)CCOCc1ccccc1 f1f833f7ffe7ac0efc7e8e372d42a942 [1,0,1,0,0,0|1,0,1]=4 613 B13R1.337 CC(=CCOCc1ccccc1)C dc5428f5af33b602923aed19bb2b52fd [1,0,1,0,0,0|1,0,1]=4 614 B13R1.337 CC(=O)CCOCc1ccccc1 cd809ee0733413cdafcbf7a64d37b288 [1,0,1,0,0,0|2,0,0]=4 615 B13R1.337 CC(C)CCNCc1ccccc1 1e688087bf103ef5abb70549de5710ec [1,0,1,0,0,0|2,0,0]=4 616 B13R1.337 CC(C)CCOCc1ccccc1 b9a2e4d50d414109e50fcb33258261ee [1,0,1,0,0,0|1,0,0]=3 617 B13R1.337 CC(C)CCOCc1ccccn1 02c5facde60119427fc0e1bd134b071a [1,0,1,0,0,0|2,0,0]=4 618 B13R1.337 CC(C)CCOCc1cccnc1 16559d4279cb702f2adce6f17203371a [1,0,1,0,0,0|2,0,0]=4 619 B13R1.337 CC(C)CCOCc1ccncc1 518cab7758e231497cea7b026594978a [1,0,1,0,0,0|2,0,0]=4 620 B13R1.337 CN(C)CCCNc1ccccc1 64b213a8b2410fa9ad1808ec1488194d [1,0,1,0,0,0|2,0,0]=4 621 B13R1.337 CN(C)CCNCc1ccccc1 5d59de0a5362f9dd0332c7bbac95b919 [1,0,1,0,0,0|1,0,0]=3 622 B13R1.337 CN(C)CCNCc1ccccn1 a27bf624973551c30b097b214a2f119d [1,0,1,0,0,0|2,0,0]=4 623 B13R1.337 CN(C)CCNCc1cccnc1 a48018540b1574fc22b4b6a1cec436ba [1,0,1,0,0,0|2,0,0]=4 624 B13R1.337 CN(C)CCNCc1ccncc1 c9116cbbdc870b59bec296c0d47e2512 [1,0,1,0,0,0|2,0,0]=4 625 B13R1.337 CN(C)CCOCc1ccccc1 a35121ed4de0a81e5c46c843404814ef [1,0,1,0,0,0|0,0,0]=2 626 B13R1.337 CN(C)CCOCc1ccccn1 2ee170f4af154dd1efd2d0c55c350e6d [1,0,1,0,0,0|1,0,0]=3 627 B13R1.337 CN(C)CCOCc1cccnc1 a0e89e9166fa84e00cd4f032a58b9ee1 [1,0,1,0,0,0|1,0,0]=3 628 B13R1.337 CN(C)CCOCc1cccnn1 fa80430878f390503370f28d28436885 [1,0,1,0,0,0|2,0,0]=4 629 B13R1.337 CN(C)CCOCc1ccncc1 b894f561afdbd70e5b9af8f7a827cfbf [1,0,1,0,0,0|1,0,0]=3 630 B13R1.337 CN(C)CCOCc1ccncn1 282c6f9533398b25b715ad49c7f5de1b [1,0,1,0,0,0|2,0,0]=4 631 B13R1.337 CN(C)CCOCc1ccnnc1 93b6f8e326fcb558974614131b6b415d [1,0,1,0,0,0|2,0,0]=4 632 B13R1.337 CN(C)CCOCc1cnccn1 6621ecbae876a6b88bd41fa3cc083789 [1,0,1,0,0,0|2,0,0]=4 633 B13R1.337 CN(C)CCOCc1cncnc1 19bb15f4c364b9d40b57c85aa69a9d71 [1,0,1,0,0,0|2,0,0]=4 634 B13R1.337 CN(C)CCOCc1ncccn1 32f8eb5ad1d93aaf78321e126ce447bc [1,0,1,0,0,0|2,0,0]=4 635 B13R1.337 CN(C)CNCCc1ccccc1 477e27f88e5b75781486036a407834e3 [1,0,1,0,0,0|2,0,0]=4 636 B13R1.337 CN(C)COCCc1ccccc1 388ebe28b60edfd4e1da7289ebe68ac0 [1,0,1,0,0,0|2,0,0]=4 637 B13R1.337 CS(=O)CCOCc1ccccc1 1ecc10915ad29850bfa7b422fb3bb544 [1,0,1,0,0,0|2,0,0]=4 638 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)F 15b29df37e2fcaa58812b1457939864b [0,1,1,0,0,0|1,0,1]=4 639 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 7916d7c8ac8424ade36f1c4dfed415b5 [0,1,1,0,0,0|2,0,0]=4 640 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 3eda4874fb8793106deeeee76c928fcb [0,1,1,0,0,0|2,0,0]=4 641 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F a7e8289d6af4b8a05242fb418a5a92f4 [0,1,1,0,0,0|2,0,0]=4 642 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)I ad60f0a678bdadada74f1fa4a717480d [0,1,1,0,0,0|2,0,0]=4 643 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Br f2d9ccbf0639a15201300c95960b3d3c [0,1,1,0,0,0|1,0,1]=4 644 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Cl 7283048267d437c466e76736e620577d [0,1,1,0,0,0|1,0,1]=4 645 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)F b256885c06e39ea002ad61d103e480ba [0,1,1,0,0,0|1,0,1]=4 646 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)I 2abaade024edc4ed4df78bace7864862 [0,1,1,0,0,0|1,0,1]=4 647 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)O 8191ab131907368b3c8146c0b257c8d2 [0,1,1,0,0,0|1,0,1]=4 648 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)S 1ae322427ae801cb998ff03679827408 [0,1,1,0,0,0|1,0,1]=4 649 B15R1.48 C[C@@H](CCO)N(C)Cc1ccc(cc1)Br 6bbd94fb957b34cb2a8927e2b57a3d17 [0,1,1,0,0,0|2,0,0]=4 650 B15R1.48 C[C@@H](CCO)N(C)Cc1ccc(cc1)Cl 8d81e1642ebe444bdc2bd42e3b611100 [0,1,1,0,0,0|2,0,0]=4 651 B15R1.48 C[C@@H](CCO)N(C)Cc1ccc(cc1)F 59f5b6918e74b8c9124679d62a88a75b [0,1,1,0,0,0|2,0,0]=4 652 B15R1.48 C[C@@H](CCO)N(C)Cc1ccc(cc1)I 7979b3592983b39380be3087fdf58f1e [0,1,1,0,0,0|2,0,0]=4 653 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CCO 9a7bae30744f361cf7c5d781a29412c7 [0,1,1,0,0,0|1,0,1]=4 654 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 3667611d88a3cec995e0277ff58d2537 [0,1,1,0,0,0|2,0,0]=4 655 B15R1.48 Cc1ccc(cc1)CN(C)[C@@H](C)CCO 6a370f93d8b4167c1ef61c0d1d5bffe5 [0,1,1,0,0,0|2,0,0]=4 656 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)F a98dfcd05c6d8551f00b148218317f9e [0,1,1,0,0,0|1,0,1]=4 657 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)F b5d36d8a5e9827ecf3ff823a3be7e46e [0,1,1,0,0,0|1,0,1]=4 658 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 06c2d16cd688fcb06320ba48bcced4d0 [0,1,1,0,0,0|2,0,0]=4 659 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 6ac0d8cd31f0ffbf24efcf4c365a73be [0,1,1,0,0,0|2,0,0]=4 660 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 9b46abb30bb915a1acea89d6f2821a5c [0,1,1,0,0,0|2,0,0]=4 661 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)I 07fdbe9e1b7787c8dfac6baf4799243b [0,1,1,0,0,0|2,0,0]=4 662 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Br c34af4bf7898711370beae5b17468e47 [0,1,1,0,0,0|1,0,1]=4 663 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Cl 763c5413fae54a2f0013e029b0d71cb3 [0,1,1,0,0,0|1,0,1]=4 664 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)F 3d231d6982ed57cc29ae14c8f9d3fd7c [0,1,1,0,0,0|1,0,1]=4 665 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)I 9e6c0a23423c07288e72009a932d6405 [0,1,1,0,0,0|1,0,1]=4 666 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)O dbc710168bdd02020511ff73032d3adb [0,1,1,0,0,0|1,0,1]=4 667 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)S 1ecad2a7ba5670996c056e2193d605a9 [0,1,1,0,0,0|1,0,1]=4 668 B15R1.49 C[C@@H](CCO)N(C)Cc1cccc(c1)Br 697109d8b50094e068cf33a406c68ea8 [0,1,1,0,0,0|2,0,0]=4 669 B15R1.49 C[C@@H](CCO)N(C)Cc1cccc(c1)Cl 059dc31473a071f7db107ad3205d9890 [0,1,1,0,0,0|2,0,0]=4 670 B15R1.49 C[C@@H](CCO)N(C)Cc1cccc(c1)F 11dadd6750550f810390cbdd456d806b [0,1,1,0,0,0|2,0,0]=4 671 B15R1.49 C[C@@H](CCO)N(C)Cc1cccc(c1)I bfc4347b1b88a1f1f4b0163a053035d4 [0,1,1,0,0,0|2,0,0]=4 672 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CCO 5e639b5741f0d09220452edcb30ad1ac [0,1,1,0,0,0|1,0,1]=4 673 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 89c6cdc42d7b302af033bf9240684756 [0,1,1,0,0,0|2,0,0]=4 674 B15R1.49 Cc1cccc(c1)CN(C)[C@@H](C)CCO 2f47777fe8d5b5e95b9f9f6e9de4c2da [0,1,1,0,0,0|2,0,0]=4 675 B15R1.496 CC(C)CN(C)C(C)Cc1ccccc1 406b2e87b344c4539d1182b6ef56d508 [0,1,1,0,0,0|1,0,0]=3 676 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 11f4f1db31bc8fe5d77bcc46721a65d5 [0,1,1,0,0,0|2,0,0]=4 677 B15R1.496 CC(C)CN(C)C(C)Cc1cccnc1 d627609580060865430fa08d412cf2a8 [0,1,1,0,0,0|2,0,0]=4 678 B15R1.496 CC(Cc1ccccn1)N(C)CC(=O)O bba081918fdb5468c21a795d48cca44e [0,1,1,0,0,0|1,0,1]=4 679 B15R1.496 CC(Cc1ccccn1)N(C)CC(F)F 12c01d15d9ea36597ec987c1c55a83ba [0,1,1,0,0,0|2,0,0]=4 680 B15R1.496 CC(Cc1ccccn1)N(C)C[C@H](C)O 1a2418cdb1ac9f035c6769c88a00d1cc [0,1,1,0,0,0|1,0,0]=3 681 B15R1.496 CC(Cc1cccnc1)N(C)CC(=O)O c55058ffe1eb1200aa9c9ade5498f002 [0,1,1,0,0,0|1,0,1]=4 682 B15R1.496 CC(Cc1cccnc1)N(C)CC(F)F ad1269e47b50eb7dce8b2ecf1cb0a251 [0,1,1,0,0,0|2,0,0]=4 683 B15R1.496 CC(Cc1cccnc1)N(C)C[C@H](C)O b165745ee9576fad8fa6fe43b7eb5a87 [0,1,1,0,0,0|1,0,0]=3 684 B15R1.496 CC(Cc1cnccn1)N(C)C[C@H](C)O 72da0a965d80d38cd9dd2022cdf20a05 [0,1,1,0,0,0|2,0,0]=4 685 B15R1.496 CC(O)CC(C)N(C)Cc1ccccc1 71d8d1489c3f28245328017adad1002a [0,1,1,0,0,0|2,0,0]=4 686 B15R1.496 CC(O)CN(C)C(C)Cc1ccccn1 3a44b1c925006d1860f7276dfc9d7008 [0,1,1,0,0,0|1,0,0]=3 687 B15R1.496 CC(O)CN(C)C(C)Cc1cccnc1 753c9f43a125af7e5d35b46107e195c8 [0,1,1,0,0,0|1,0,0]=3 688 B15R1.496 CC(O)CN(C)C(C)Cc1cnccn1 09eb08746d41ec3ce1776c6965722e1b [0,1,1,0,0,0|2,0,0]=4 689 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 67670090e0480efbaf5cfea62cd9d917 [0,1,1,0,0,0|2,0,0]=4 690 B15R1.551 C#CCCN(C)C(C)Cc1cccnc1 0141845bbc56e3edc67c92aa5338cb97 [0,1,1,0,0,0|2,0,0]=4 691 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 bba159a8706eee072302b49114e7fcc6 [0,1,1,0,0,0|1,0,0]=3 692 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 27d004c9b75ed9fabb60b1ff696bc92e [0,1,1,0,0,0|2,0,0]=4 693 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 dc2ac915dd4bec70afdbc2cb3afcf21a [0,1,1,0,0,0|2,0,0]=4 694 B15R1.551 CC(Cc1ccccn1)N(C)C/C=C\O 1c43504f8d0f802fd8a4b76c1396a5af [0,1,1,0,0,0|1,0,1]=4 695 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 8c99315991e1002bae402d764e623c9a [0,1,1,0,0,0|2,0,0]=4 696 B15R1.551 CC(Cc1ccccn1)N(C)CCC=O ee5b7b14f1e3a0b9f56ad740c9ed7b33 [0,1,1,0,0,0|1,0,1]=4 697 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 24e4e03458ccbdbf31debc9c86110bfe [0,1,1,0,0,0|2,0,0]=4 698 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 10cc2d06b2dfa2d780450a7d6021d09e [0,1,1,0,0,0|1,0,0]=3 699 B15R1.551 CC(Cc1ccccn1)N(C)CCCS 27e722c0bdc1ca2859ef474ea2bd4dde [0,1,1,0,0,0|1,1,0]=4 700 B15R1.551 CC(Cc1cccnc1)N(C)C/C=C\O 7a1eb8944adb7d11b78241ca99e2cfd8 [0,1,1,0,0,0|1,0,1]=4 701 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 47673b3bc7b87cba319296ffa7500d9a [0,1,1,0,0,0|2,0,0]=4 702 B15R1.551 CC(Cc1cccnc1)N(C)CCC=O aafb3af2c7874b928074f63e3052015f [0,1,1,0,0,0|1,0,1]=4 703 B15R1.551 CC(Cc1cccnc1)N(C)CCCF 3711a29ab24aab504e6d6fc8d5f4de9c [0,1,1,0,0,0|2,0,0]=4 704 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 147033171e3820eb94ef0a42eb499577 [0,1,1,0,0,0|1,0,0]=3 705 B15R1.551 CC(Cc1cccnc1)N(C)CCCS 2a3b1845592f10e10b02f6e45b59ee5a [0,1,1,0,0,0|1,1,0]=4 706 B15R1.551 CC(Cc1cnccn1)N(C)CCCO 86486c8486169331d1651cdead0a4389 [0,1,1,0,0,0|2,0,0]=4 707 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 59a36c9e33ca221597d5d2129bd496b2 [0,1,1,0,0,0|2,0,0]=4 708 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 54779a84a99630c0e5dfbc19741987a0 [0,1,1,0,0,0|2,0,0]=4 709 B15R1.551 CCOCN(C)C(C)Cc1ccccn1 66661b9f84f93e4586a3ea5c43345707 [0,1,1,0,0,0|2,0,0]=4 710 B15R1.551 CCOCN(C)C(C)Cc1cccnc1 df30733af3ef24d4147914b28ca07fca [0,1,1,0,0,0|2,0,0]=4 711 B15R1.551 COCCN(C)C(C)Cc1ccccn1 8601f673cee7c82fc1a1f8619628b4a8 [0,1,1,0,0,0|1,0,0]=3 712 B15R1.551 COCCN(C)C(C)Cc1cccnc1 c106c30ccf0a6aba87d1d781f1ff7208 [0,1,1,0,0,0|1,0,0]=3 713 B15R1.551 COCCN(C)C(C)Cc1cnccn1 1b1b81a2d95fc4e8e17937c08c397e6c [0,1,1,0,0,0|2,0,0]=4 714 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 993204adca089f4c47b1fd7777322ece [0,1,1,0,0,0|1,1,0]=4 715 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 64c3f4b1bdd19e9afebbbc8680bd1f4b [0,1,1,0,0,0|1,1,0]=4 716 B15R1.578 CC(C(=O)N(C)CCO)c1ccccc1 5d1e5dd955a0f05e62c156893751d532 [0,1,1,0,0,0|1,0,1]=4 717 B15R1.578 CN(CCO)C(=O)C(F)c1ccccc1 fd05196a59655210d5d246c853bdf372 [0,1,1,0,0,0|1,0,1]=4 718 B15R1.578 CN(CCO)C(=O)C(O)c1ccccc1 2c6d8a18da5265a49de0002156a126d5 [0,1,1,0,0,0|1,0,1]=4 719 B15R1.578 CN(CCO)C(=O)[C@@H](O)c1ccccc1 5bf0425f399fc6be873b575e9fde40d9 [0,1,1,0,0,0|1,0,1]=4 720 B15R1.578 CN(CCO)C(=O)[C@H](F)c1ccccc1 05cef6e6995fcea4fcede577ca8e8357 [0,1,1,0,0,0|1,0,1]=4 721 B15R1.578 CN(CCO)C(=O)[C@H](O)c1ccccc1 c1363765736687b51e289445681a3a42 [0,1,1,0,0,0|1,0,1]=4 722 B15R1.578 C[C@@H](C(=O)N(C)CCO)c1ccccc1 7a5a5b08cc244c23e461776b7001fc2f [0,1,1,0,0,0|1,0,1]=4 723 B15R1.578 C[C@H](C(=O)N(C)CCO)c1ccccc1 5d8b8ac01015118b7eea5f3e3def2652 [0,1,1,0,0,0|1,0,1]=4 724 B15R1.640 C#CCN(C)C(CO)Cc1ccccc1 b5b65c70c2d08e0d75bd40ab197910a0 [0,1,1,0,0,0|1,0,1]=4 725 B15R1.640 C#CCN(C)[C@H](CO)Cc1ccccc1 24201ee77479a5c830abc0024b9076bc [0,1,1,0,0,0|1,0,1]=4 726 B15R1.640 C=CCN(C)C(CO)Cc1ccccc1 66c4171fa501f1a587acfe4cc45efac6 [0,1,1,0,0,0|1,0,1]=4 727 B15R1.640 C=CCN(C)[C@H](CO)Cc1ccccc1 f3be722f26c4722e32e120f400153385 [0,1,1,0,0,0|1,0,1]=4 728 B15R1.640 CCCN(C)C(C=O)Cc1ccccc1 a3579a17e1994bd964babeef8d4a7c7d [0,1,1,0,0,0|1,0,1]=4 729 B15R1.640 CCCN(C)C(CO)Cc1ccccc1 ae170b40e345a680d63c6005a2b319c1 [0,1,1,0,0,0|1,0,0]=3 730 B15R1.640 CCCN(C)[C@H](CO)Cc1ccccc1 355e64945765915de15066b25ff76c72 [0,1,1,0,0,0|1,0,0]=3 731 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 0118ea8e973ed170157dcf51bf5c3609 [0,1,1,0,0,0|2,0,0]=4 732 B15R1.640 CN(CC#N)C(CO)Cc1ccccc1 92f7abdf91608efdd828a4a9275ffb62 [0,1,1,0,0,0|1,0,1]=4 733 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 c137ac22ad7ce253eb4dfacda003137a [0,1,1,0,0,0|1,0,1]=4 734 B15R1.640 CN(CC=O)C(CO)Cc1ccccc1 bf18d9ce74b2194ec7130efd5f1e44b5 [0,1,1,0,0,0|0,0,2]=4 735 B15R1.640 CN(CC=O)[C@H](CO)Cc1ccccc1 9959e76680b146cd9a032917dc76b4df [0,1,1,0,0,0|0,0,2]=4 736 B15R1.640 CN(CCF)C(C=O)Cc1ccccc1 daf83ac1f264afd91c5ef22472018df3 [0,1,1,0,0,0|1,0,1]=4 737 B15R1.640 CSCN(C)C(CO)Cc1ccccc1 7f6f32be17dc633017a411f68eae128f [0,1,1,0,0,0|2,0,0]=4 738 B15R1.640 CSCN(C)[C@H](CO)Cc1ccccc1 9e704c6b8002342b2fe15f2f28a73e87 [0,1,1,0,0,0|2,0,0]=4 739 B15R1.973 CC(CO)N(C)C(C)Cc1ccccn1 9179c9603cd294175e8d769d51c1e9ff [0,1,1,0,0,0|1,0,0]=3 740 B15R1.973 CC(CO)N(C)C(C)Cc1cccnc1 b67dea0667ea24212486df956f595245 [0,1,1,0,0,0|1,0,0]=3 741 B15R1.973 CC(CO)N(C)C(C)Cc1cnccn1 6ed61a638dd4d41f7f51ff8f501077e2 [0,1,1,0,0,0|2,0,0]=4 742 B15R1.973 CC(Cc1ccccn1)N(C)C(=O)CO 5a94c960964f59f3f0f60e691339d2f4 [0,1,1,0,0,0|1,0,1]=4 743 B15R1.973 CC(Cc1cccnc1)N(C)C(=O)CO dc696f94294ba71069bcad5ddfe9e44c [0,1,1,0,0,0|1,0,1]=4 744 B15R1.973 CC(Cc1cccnc1)N(C)[C@@H](C)CO da8f9035a2668719744fe2e696292cc5 [0,1,1,0,0,0|1,0,0]=3 745 B15R1.973 CC(Cc1cccnc1)N(C)[C@H](C)CO e77c257a561abcec4358e4014c4d6eb4 [0,1,1,0,0,0|1,0,0]=3 746 B15R1.973 CC(Cc1cnccn1)N(C)[C@@H](C)CO 800c3b70edb9966b6888d32a7558dd6b [0,1,1,0,0,0|2,0,0]=4 747 B15R1.973 CC(Cc1cnccn1)N(C)[C@H](C)CO fa612c3dbfbcf98f953afffc18cc1438 [0,1,1,0,0,0|2,0,0]=4 748 B15R1.973 CCC(C)N(C)C(C)Cc1ccccn1 ab0b8331dfd5b4529c07455dd87b0cb9 [0,1,1,0,0,0|2,0,0]=4 749 B15R1.973 CCC(C)N(C)C(C)Cc1cccnc1 682636e63e9b85d388cedc06ee3f4d48 [0,1,1,0,0,0|2,0,0]=4 750 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 8f17c3872110ca71a4aec56833c95e4c [0,1,1,0,0,0|1,0,1]=4 751 B15R1.1289 C#CCN(CF)C(C)Cc1ccccc1 8fd915185dbdd05b347f8df6309250b3 [0,1,1,0,0,0|1,0,1]=4 752 B15R1.1289 C#CCN(CO)C(C)Cc1ccccc1 05fc1c81abf5bff7fe69a32cabe9615f [0,1,1,0,0,0|1,0,1]=4 753 B15R1.1289 CCCN(CC)C(C)Cc1cccnc1 01c5e52684e66d1cd2671fefed728e07 [0,1,1,0,0,0|2,0,0]=4 754 B15R1.1289 CCN(CCS)C(C)Cc1cccnc1 78ae0ca4467c8bfa4ccc9930b6203928 [0,1,1,0,0,0|1,1,0]=4 755 B15R1.1289 CN(Cc1ccccc1)[C@@H](CO)CCO 62631cdc9843822fc26f32e097d24102 [0,1,1,0,0,0|2,0,0]=4 756 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 5d6ea7613567504a09a47d88929e1901 [0,1,1,0,0,0|2,0,0]=4 757 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 0b2f30aa6eced80d378770524b76e257 [0,1,1,0,0,0|2,0,0]=4 758 B15R1.3960 CC(CCO)N(C)Cc1ccccc1I 9642857708b1e9e54b326b5350dc3aba [0,1,1,0,0,0|2,0,0]=4 759 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Br 16bf54ade27980c2d393063baf0ebbb8 [0,1,1,0,0,0|1,0,1]=4 760 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Cl 02e5812f453bc5498af3e1bb7bc68bdd [0,1,1,0,0,0|1,0,1]=4 761 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1F 731d5711ed298e5087ae67e15540fb7d [0,1,1,0,0,0|1,0,1]=4 762 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1I 4a5964ccda57c08715d83adebb054540 [0,1,1,0,0,0|1,0,1]=4 763 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1O 0a203b21a87ec3a56d4860975d617986 [0,1,1,0,0,0|1,0,1]=4 764 B15R1.3960 C[C@@H](CCO)N(C)Cc1ccccc1Cl 4b4c919bb29498fa17c7ed17a8c0e3e9 [0,1,1,0,0,0|2,0,0]=4 765 B15R1.3960 C[C@@H](CCO)N(C)Cc1ccccc1F 858708b768feba09373b637ec35196ae [0,1,1,0,0,0|2,0,0]=4 766 B15R1.3960 C[C@@H](CCO)N(C)Cc1ccccc1I 12bd7550082796d3cf2c43e39836edd9 [0,1,1,0,0,0|2,0,0]=4 767 B15R1.3960 Cc1ccccc1CC(=O)N(C)CCO b68d48acb2997aeba5d0959a5ef6c98f [0,1,1,0,0,0|1,0,1]=4 768 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)Br e53096e79e50fd90eb926771c82dcc1b [0,1,1,0,0,0|1,0,1]=4 769 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)C ea1687f25cb3d28a2953cc5c2549ddf8 [0,1,1,0,0,0|1,0,1]=4 770 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)Cl 6aa1a5487f15fc939564fd8d7472d2e1 [0,1,1,0,0,0|1,0,1]=4 771 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)F 8ddc0ba7f08e2420303b3eceee58f4d7 [0,1,1,0,0,0|1,0,1]=4 772 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)O 281c97fd01f981b8b064739e0ab7304f [0,1,1,0,0,0|1,0,1]=4 773 B15R1.75 CCN(C)C(=O)[C@@H](O)c1ccc(cc1)Br 2afb371332bf3c937653ff2d2b39c374 [0,1,1,0,0,0|1,0,1]=4 774 B15R1.75 CCN(C)C(=O)[C@@H](O)c1ccc(cc1)Cl f3bfee48d64e2aa4737e9517c8fb9200 [0,1,1,0,0,0|1,0,1]=4 775 B15R1.75 CCN(C)C(=O)[C@@H](O)c1ccc(cc1)F 22a05c8a82828568b92eb30fa6b31fd3 [0,1,1,0,0,0|1,0,1]=4 776 B15R1.75 CCN(C)C(=O)[C@@H](O)c1ccc(cc1)O 40a7ec0f96ad54287a7bc6efc32c79ef [0,1,1,0,0,0|1,0,1]=4 777 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)Br 34722bd11b3de005d808eaa1995b39f1 [0,1,1,0,0,0|1,0,1]=4 778 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)C 33f4d5e4026cd66bfee968f09cdb48a6 [0,1,1,0,0,0|1,0,1]=4 779 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)Cl f6c376789992a1061e9942d3c50ffe65 [0,1,1,0,0,0|1,0,1]=4 780 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)F 7ac3136f707c641a0f24cbb447234690 [0,1,1,0,0,0|1,0,1]=4 781 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)O 8f8665daa2922e8924d78ad358a53430 [0,1,1,0,0,0|1,0,1]=4 782 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)Br 6e7e8822a0fdc46956f6685d4e60aef3 [0,1,1,0,0,0|1,0,1]=4 783 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)C 723d634a2f0d62d00c11fe07070c90dc [0,1,1,0,0,0|1,0,1]=4 784 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)Cl b55bf052d2d628cb8aa2c8247869abda [0,1,1,0,0,0|1,0,1]=4 785 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)F d0bc0661cda0929318b20c3751999bea [0,1,1,0,0,0|1,0,1]=4 786 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)O b3b3dae9ea82d1065e0b36518e522d5f [0,1,1,0,0,0|1,0,1]=4 787 B15R1.76 CCN(C)C(=O)[C@@H](O)c1cccc(c1)Br f7be9bb7bef86cbc617a526be98c57e5 [0,1,1,0,0,0|1,0,1]=4 788 B15R1.76 CCN(C)C(=O)[C@@H](O)c1cccc(c1)Cl 192be529eb4db92dc124b0bd67bc92bf [0,1,1,0,0,0|1,0,1]=4 789 B15R1.76 CCN(C)C(=O)[C@H](O)c1cccc(c1)Br 03540a3fbcfc2b2a9c16daacd4106e97 [0,1,1,0,0,0|1,0,1]=4 790 B15R1.76 CCN(C)C(=O)[C@H](O)c1cccc(c1)Cl f7453e02174d3630c0a88d8fb57bb124 [0,1,1,0,0,0|1,0,1]=4 791 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)Cl b3e0d34cb0ad902d4b637cd0f9d85174 [0,1,1,0,0,0|0,0,2]=4 792 B15R1.1326 CCN(C)C(=O)C(C)(O)c1ccccc1 647f2d5be7118ac282e9fece11ff43a1 [0,1,1,0,0,0|1,0,1]=4 793 B15R1.1326 CCN(C)C(=O)[C@@](C)(O)c1ccccc1 c6f46efdd7c782bf8ebaa3551515da9b [0,1,1,0,0,0|1,0,1]=4 794 B15R1.1329 CCC(C)N(C)C(CO)c1ccccc1 b344f68878d3fc0a808734a159514796 [0,1,1,0,0,0|2,0,0]=4 795 B15R1.1329 CCC(C)N(C)[C@@H](CO)c1ccccc1 58836f92b3ba43d471d71d941e4bbb8e [0,1,1,0,0,0|2,0,0]=4 796 B15R1.1329 CCC(C)N(C)[C@H](CO)c1ccccc1 ebb3f16db032a7f541ca3b9307b07095 [0,1,1,0,0,0|2,0,0]=4 797 B15R1.1329 CCN(C)C(=O)C(CO)c1ccccc1 2ab67726800f4af2596786edc3480237 [0,1,1,0,0,0|1,0,1]=4 798 B15R1.1329 CCN(C)C(=O)C(OC)c1ccccc1 b1ba61248db51c3734ea8277dbd7a8c3 [0,1,1,0,0,0|1,0,1]=4 799 B15R1.1329 CCN(C)C(=O)[C@@H](CO)c1ccccc1 d859809130053c753ddea4db74bd675c [0,1,1,0,0,0|1,0,1]=4 800 B15R1.1329 CCN(C)C(=O)[C@@H](OC)c1ccccc1 a43cd261395a800038b0df7b97fa13e5 [0,1,1,0,0,0|1,0,1]=4 801 B15R1.1329 CCN(C)C(=O)[C@H](CO)c1ccccc1 d543bb235567a6c2f2fd5dc39f1d3c16 [0,1,1,0,0,0|1,0,1]=4 802 B15R1.1329 CCN(C)C(=O)[C@H](OC)c1ccccc1 3d13a1676f501e4544be8625bd9f6aab [0,1,1,0,0,0|1,0,1]=4 803 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1Br 381863bb9e7bd59471534203427e594e [0,1,1,0,0,0|1,0,1]=4 804 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1C 9d949fc7755490506db17e3fc6d8bc90 [0,1,1,0,0,0|1,0,1]=4 805 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1Cl 90a7b60d975680e39282298c542d2d20 [0,1,1,0,0,0|1,0,1]=4 806 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1F b49f17ec4b1d0c005b1616ddd00dcce6 [0,1,1,0,0,0|1,0,1]=4 807 B15R1.4434 CCN(C)C(=O)[C@@H](O)c1ccccc1Cl 175af1f909db9f5d38d63380662d9d6b [0,1,1,0,0,0|1,0,1]=4 808 B15R1.4434 CCN(C)C(=O)[C@H](O)c1ccccc1Cl 8f7658813661de27a59cfcc4a5988bce [0,1,1,0,0,0|1,0,1]=4 809 B15R1.4434 CCN(C)C(=O)[C@H](O)c1ccccc1F 83f97536ea0cae032195c569ecb4b8cf [0,1,1,0,0,0|1,0,1]=4 810 B15R1.33 C#CCCCOC(CC)c1ccccc1 876f5730b177d3e3ad7cd2116fea0757 [0,1,1,0,0,0|1,0,1]=4 811 B15R1.33 C#CCCCO[C@@H](CC)c1ccccc1 5999d551a236cf61be9b876773e528d7 [0,1,1,0,0,0|1,0,1]=4 812 B15R1.33 C#CCCCO[C@H](CC)c1ccccc1 517a49a43a181132aa8d6691b472ff3c [0,1,1,0,0,0|1,0,1]=4 813 B15R1.33 C#CCCOCC(CC)c1ccccc1 e9fe5d5cccb6797bdf08fc061c4fc80c [0,1,1,0,0,0|1,0,1]=4 814 B15R1.33 C/C=C/CCOC(CC)c1ccccc1 bf1172867d8382f1f30ae13a09b94397 [0,1,1,0,0,0|1,0,0]=3 815 B15R1.33 C/C=C/COCC(CC)c1ccccc1 387770b844ade4382e482bc8c486d40e [0,1,1,0,0,0|1,0,1]=4 816 B15R1.33 C/C=C\COCC(CC)c1ccccc1 93b70764c3fea5d1ccd5b4dd7d38a29c [0,1,1,0,0,0|1,0,1]=4 817 B15R1.33 C=C=CCCOC(CC)c1ccccc1 933e224915d7ff3ab27f90deddbeb66f [0,1,1,0,0,0|1,0,1]=4 818 B15R1.33 C=CCCCOC(CC)c1ccccc1 a4ad7f610e5b30e1526578d77b0e216a [0,1,1,0,0,0|1,0,1]=4 819 B15R1.33 C=CCCCO[C@@H](CC)c1ccccc1 2c3561e258d355d99ad12eed28264fcd [0,1,1,0,0,0|1,0,1]=4 820 B15R1.33 C=CCCCO[C@H](CC)c1ccccc1 299b1bc3eb5318580267b3a55eb69e9a [0,1,1,0,0,0|1,0,1]=4 821 B15R1.33 C=CCCOCC(CC)c1ccccc1 f2f9dc0b9e1c7fdc0227d8db815c160a [0,1,1,0,0,0|1,0,1]=4 822 B15R1.33 C=COCCOC(CC)c1ccccc1 1a255fd4246d123e1e575e82011d4446 [0,1,1,0,0,0|1,0,1]=4 823 B15R1.33 CC#CCCOC(CC)c1ccccc1 6831b1dea8f96426a28a3d695168db6b [0,1,1,0,0,0|1,0,0]=3 824 B15R1.33 CC/C=C/COC(CC)c1ccccc1 50000e0144133b1a57637d8734bfeac3 [0,1,1,0,0,0|1,0,1]=4 825 B15R1.33 CC/C=C/CO[C@@H](CC)c1ccccc1 1dde9d434774118a395db32008252161 [0,1,1,0,0,0|1,0,1]=4 826 B15R1.33 CC/C=C/CO[C@H](CC)c1ccccc1 bdf04d4dcabd1b946c92988c8ed1d0f2 [0,1,1,0,0,0|1,0,1]=4 827 B15R1.33 CC/C=C\COC(CC)c1ccccc1 e25d58b7e811912b020acf429d658bc0 [0,1,1,0,0,0|1,0,1]=4 828 B15R1.33 CCC#CCOC(CC)c1ccccc1 f44587deed4eb47d153cc81a0f599a55 [0,1,1,0,0,0|1,0,1]=4 829 B15R1.33 CCC(COCCC#N)c1ccccc1 df93d7ec2e560188c4d2782836c8b577 [0,1,1,0,0,0|2,0,0]=4 830 B15R1.33 CCC(COCCC=O)c1ccccc1 f288eedfd8f06df28d87b321efb26d1c [0,1,1,0,0,0|2,0,0]=4 831 B15R1.33 CCC(COCCCF)c1ccccc1 5fcec2b6b7bb6bde5f2eb7f545b1c708 [0,1,1,0,0,0|2,0,0]=4 832 B15R1.33 CCC(COCCCS)c1ccccc1 a205508235414e3710cc78d6790e9b0a [0,1,1,0,0,0|2,0,0]=4 833 B15R1.33 CCC(COCCOC)c1ccccc1 0b9d4e6246e2ec00a4e35f712b878f18 [0,1,1,0,0,0|1,0,0]=3 834 B15R1.33 CCC(COCCOC)c1ccccn1 f644306c0d914784516bc463053cd494 [0,1,1,0,0,0|2,0,0]=4 835 B15R1.33 CCC(COCCSC)c1ccccc1 2437a18bc191e3306a9cdbf40a9e43fb [0,1,1,0,0,0|1,0,0]=3 836 B15R1.33 CCC(COCCSC)c1ccccn1 7c7f25a2ebbbd5c99422feca5b8cb984 [0,1,1,0,0,0|2,0,0]=4 837 B15R1.33 CCC(NCCCCCl)c1ccccc1 9f6f44fa4942ad83e591779af5960a10 [0,1,1,0,0,0|2,0,0]=4 838 B15R1.33 CCC(NCCCCF)c1ccccc1 5c27baaffc8d986555105eb6cdf53aab [0,1,1,0,0,0|2,0,0]=4 839 B15R1.33 CCC(NCCCCO)c1ccccc1 af87359596d1b4c4741d08c739b7a791 [0,1,1,0,0,0|2,0,0]=4 840 B15R1.33 CCC(NCCCCS)c1ccccc1 51ac1a13432d4c259711551f79bd7e7a [0,1,1,0,0,0|2,0,0]=4 841 B15R1.33 CCC(NCCCOC)c1ccccc1 b681d0f9f3fd85c406b3b5719ed18b39 [0,1,1,0,0,0|2,0,0]=4 842 B15R1.33 CCC(NCCCSC)c1ccccc1 4d2c4518123bafb5b4e44d9796fb4aff [0,1,1,0,0,0|2,0,0]=4 843 B15R1.33 CCC(OCCCC#N)c1ccccc1 e73c1274c5307ebeb2e64d6fe47ba545 [0,1,1,0,0,0|1,0,1]=4 844 B15R1.33 CCC(OCCCC=O)c1ccccc1 5b863f78730c13befcee6a726c908766 [0,1,1,0,0,0|1,0,1]=4 845 B15R1.33 CCC(OCCCCF)c1ccccc1 ba3d58ed4774ec56463cdb60e891b217 [0,1,1,0,0,0|1,0,0]=3 846 B15R1.33 CCC(OCCCCS)c1ccccc1 b4e1a39e753b96f4f1c36a996ea55ac5 [0,1,1,0,0,0|1,0,0]=3 847 B15R1.33 CCC(OCCCOC)c1ccccc1 cec76e5065b2245a3e0a58f8e182d1ff [0,1,1,0,0,0|1,0,0]=3 848 B15R1.33 CCC(OCCCSC)c1ccccc1 4e3a4b3dd0bed884f7f82520deb16d88 [0,1,1,0,0,0|1,0,0]=3 849 B15R1.33 CCC(OCCNC=O)c1ccccc1 c7cfe45d2d50da70ae17e00acb044ff8 [0,1,1,0,0,0|0,0,1]=3 850 B15R1.33 CCC(OCCOC=O)c1ccccc1 8262be9a4f1905e675b07d4b44f39e87 [0,1,1,0,0,0|1,0,1]=4 851 B15R1.33 CCC(OCCOCF)c1ccccc1 1a1ae24895e814aa11cacc149941a02c [0,1,1,0,0,0|1,0,0]=3 852 B15R1.33 CCCCCNC(CC)c1ccccc1 3c76fdbefbacb168d55d5c3e1c6e8e4f [0,1,1,0,0,0|2,0,0]=4 853 B15R1.33 CCCCCN[C@@H](CC)c1ccccc1 0059afb2cba8853de42f89528e15fa42 [0,1,1,0,0,0|2,0,0]=4 854 B15R1.33 CCCCCN[C@H](CC)c1ccccc1 c3ec3b78de19d0e9e38a466815bf1bc0 [0,1,1,0,0,0|2,0,0]=4 855 B15R1.33 CCCCCOC(CC)c1ccccc1 525655371121712a53d2955a2b19e8a1 [0,1,1,0,0,0|1,0,0]=3 856 B15R1.33 CCCCCOC(CF)c1ccccc1 684a360f7f718575ac87e09b4f37882f [0,1,1,0,0,0|2,0,0]=4 857 B15R1.33 CCCCCO[C@@H](CC)c1ccccc1 60b77625cc84e47b45c7535634049223 [0,1,1,0,0,0|1,0,0]=3 858 B15R1.33 CCCCCO[C@H](CC)c1ccccc1 59e205cd4b35be25b061bfd10a910800 [0,1,1,0,0,0|1,0,0]=3 859 B15R1.33 CCCCCO[C@H](CF)c1ccccc1 aa4a967bae8859a2db3e4b0981cd350b [0,1,1,0,0,0|2,0,0]=4 860 B15R1.33 CCCCOCC(CC)c1ccccc1 468a18a90decf2b15050e6f2c261eb15 [0,1,1,0,0,0|1,0,0]=3 861 B15R1.33 CCCCOCC(CC)c1ccccn1 f784259522fcbd61db9e0c2a50da5ca7 [0,1,1,0,0,0|2,0,0]=4 862 B15R1.33 CCCCOCC(OC)c1ccccc1 de05e84476dfe087194a2f78b1d19bf2 [0,1,1,0,0,0|2,0,0]=4 863 B15R1.33 CCCCOCN(CC)c1ccccc1 4e4034d0ebe217733908019f92962d9b [0,1,1,0,0,0|2,0,0]=4 864 B15R1.33 CCCCOC[C@H](OC)c1ccccc1 887fbc62de52a588812dcd0fa6071457 [0,1,1,0,0,0|2,0,0]=4 865 B15R1.33 CCN(COCCOC)c1ccccc1 39085b23d0defd62a801e535638a7287 [0,1,1,0,0,0|2,0,0]=4 866 B15R1.33 CCOCCNC(CC)c1ccccc1 b24191d91b06fedab3841db046e2b870 [0,1,1,0,0,0|2,0,0]=4 867 B15R1.33 CCOCCN[C@@H](CC)c1ccccc1 e1955b5fe483ca0919bf7f1cb5c22f30 [0,1,1,0,0,0|2,0,0]=4 868 B15R1.33 CCOCCN[C@H](CC)c1ccccc1 3f5a366cdf28f48e7f70b4ed2828d72b [0,1,1,0,0,0|2,0,0]=4 869 B15R1.33 CCOCCOC(CC)c1ccccc1 07084b8fe6812232fe7cbd95ff021029 [0,1,1,0,0,0|1,0,0]=3 870 B15R1.33 CCOCCOC(CF)c1ccccc1 c31566896547e72af8d8845bb824042d [0,1,1,0,0,0|2,0,0]=4 871 B15R1.33 CCOCCOC(CS)c1ccccc1 f524afe3a01be5d91f245a78f7802f0e [0,1,1,0,0,0|2,0,0]=4 872 B15R1.33 CCOCCO[C@@H](CC)c1ccccc1 c6b22d4cfd730325aab22f5852ad5c28 [0,1,1,0,0,0|1,0,0]=3 873 B15R1.33 CCOCCO[C@H](CC)c1ccccc1 f6dea2542b0ef3c179b863fe9c0ddf27 [0,1,1,0,0,0|1,0,0]=3 874 B15R1.33 CCOCCO[C@H](CF)c1ccccc1 d37fd5401b3b2978fcb3bedc80ecee23 [0,1,1,0,0,0|2,0,0]=4 875 B15R1.33 CCSCCNC(CC)c1ccccc1 a3edfaff0813355579eb6c745ced02ab [0,1,1,0,0,0|2,0,0]=4 876 B15R1.33 CCSCCN[C@@H](CC)c1ccccc1 a83ffa9a9aab3f8c1b83f6d8785f39fb [0,1,1,0,0,0|2,0,0]=4 877 B15R1.33 CCSCCN[C@H](CC)c1ccccc1 7ce7d94a9d33e542a1de35b13edd8fd3 [0,1,1,0,0,0|2,0,0]=4 878 B15R1.33 CCSCCOC(CC)c1ccccc1 93e6ea780f298e0640bc7aec4e2f9c2e [0,1,1,0,0,0|1,0,0]=3 879 B15R1.33 CCSCCOC(CF)c1ccccc1 9efa57a93599fdb012ee357f5b3cf73e [0,1,1,0,0,0|2,0,0]=4 880 B15R1.33 CCSCCO[C@@H](CC)c1ccccc1 5d8973f60d945d927ad20100676e50d5 [0,1,1,0,0,0|1,0,0]=3 881 B15R1.33 CCSCCO[C@H](CC)c1ccccc1 55a9e0635317d623280dc1129b65b750 [0,1,1,0,0,0|1,0,0]=3 882 B15R1.33 CCSCCO[C@H](CF)c1ccccc1 341a1421a6a06ab11f2a76664493c3ac [0,1,1,0,0,0|2,0,0]=4 883 B15R1.33 CC[C@@H](NCCCCF)c1ccccc1 b34591ff6754937fbcbc15bcd7b45957 [0,1,1,0,0,0|2,0,0]=4 884 B15R1.33 CC[C@@H](NCCCCO)c1ccccc1 06c4620052ada46e12f329530672bb8c [0,1,1,0,0,0|2,0,0]=4 885 B15R1.33 CC[C@@H](NCCCOC)c1ccccc1 dbb95cd6b48e5c80f1054480acd3b343 [0,1,1,0,0,0|2,0,0]=4 886 B15R1.33 CC[C@@H](NCCCSC)c1ccccc1 a47f9145314d02167228af7d4f74bbc0 [0,1,1,0,0,0|2,0,0]=4 887 B15R1.33 CC[C@@H](OCCCC#N)c1ccccc1 2bc69a7ae42466006e10f49b6bca916f [0,1,1,0,0,0|1,0,1]=4 888 B15R1.33 CC[C@@H](OCCCC=O)c1ccccc1 10a5758986c3cbec94d88b226bf82621 [0,1,1,0,0,0|1,0,1]=4 889 B15R1.33 CC[C@@H](OCCCCF)c1ccccc1 cc7cb48b4eeaf997b7e97902fe3f7b13 [0,1,1,0,0,0|1,0,0]=3 890 B15R1.33 CC[C@@H](OCCCOC)c1ccccc1 ba50247707085cec85067eb23b48d34a [0,1,1,0,0,0|1,0,0]=3 891 B15R1.33 CC[C@@H](OCCCSC)c1ccccc1 a0a20d80e705e34ccf74585184506fd9 [0,1,1,0,0,0|1,0,0]=3 892 B15R1.33 CC[C@H](NCCCCF)c1ccccc1 7be413706ab178951b4bc3c0e8a3409f [0,1,1,0,0,0|2,0,0]=4 893 B15R1.33 CC[C@H](NCCCCO)c1ccccc1 366ff37f39d856933d14a820f96cc518 [0,1,1,0,0,0|2,0,0]=4 894 B15R1.33 CC[C@H](NCCCOC)c1ccccc1 b7d8bdcd33cb0e46b5bf52f91ff36b91 [0,1,1,0,0,0|2,0,0]=4 895 B15R1.33 CC[C@H](NCCCSC)c1ccccc1 4a650e6a9b8f5556e3d0b797e7c762de [0,1,1,0,0,0|2,0,0]=4 896 B15R1.33 CC[C@H](OCCCC#N)c1ccccc1 620caf24743701024987f1ddb2704504 [0,1,1,0,0,0|1,0,1]=4 897 B15R1.33 CC[C@H](OCCCC=O)c1ccccc1 c48153c991e30249406c06e5d4d85af1 [0,1,1,0,0,0|1,0,1]=4 898 B15R1.33 CC[C@H](OCCCCF)c1ccccc1 2aae543e969261d4fca0805d6fc47cb6 [0,1,1,0,0,0|1,0,0]=3 899 B15R1.33 CC[C@H](OCCCOC)c1ccccc1 f9681218928a1f502ebefc6dba0142ba [0,1,1,0,0,0|1,0,0]=3 900 B15R1.33 CC[C@H](OCCCSC)c1ccccc1 5eac5ce642df12c2cc6f5d374075443f [0,1,1,0,0,0|1,0,0]=3 901 B15R1.33 COC(COCCSC)c1ccccc1 fcd002c7276350b0534a5d9c4a851d7e [0,1,1,0,0,0|2,0,0]=4 902 B15R1.33 COCCCOC(CF)c1ccccc1 f3ed6ccfa07d5c05db83593c0326c70f [0,1,1,0,0,0|2,0,0]=4 903 B15R1.33 COCCCOC(CS)c1ccccc1 c8438885a29604491080dbb5847dfe1e [0,1,1,0,0,0|2,0,0]=4 904 B15R1.33 COCCCO[C@H](CF)c1ccccc1 d01276f422c805904b7df99dfea5591a [0,1,1,0,0,0|2,0,0]=4 905 B15R1.33 COCCOCC(OC)c1ccccc1 ba1eb481a5cb5f3bd502fe3659f450a9 [0,1,1,0,0,0|2,0,0]=4 906 B15R1.33 COCCOC[C@H](OC)c1ccccc1 d0c07fdfb4d8e353e13db5a533bacb7a [0,1,1,0,0,0|2,0,0]=4 907 B15R1.33 CO[C@@H](COCCSC)c1ccccc1 06c09568d027f4cfb1eedf15e7ab3a63 [0,1,1,0,0,0|2,0,0]=4 908 B15R1.33 CSCCCOC(CF)c1ccccc1 e6274900e593933775a83762d4d810f2 [0,1,1,0,0,0|2,0,0]=4 909 B15R1.33 CSCCCOC(CS)c1ccccc1 7441ded34ca7c305bdb6ba5ceaf0ffc0 [0,1,1,0,0,0|2,0,0]=4 910 B15R1.33 CSCCCO[C@H](CF)c1ccccc1 29971b100d35943d2ca87c5c7dc75934 [0,1,1,0,0,0|2,0,0]=4 911 B15R1.33 FCCCCOC(CF)c1ccccc1 2bab345c8ece22fa033fcc397d040649 [0,1,1,0,0,0|2,0,0]=4 912 B15R1.33 FCCCCO[C@H](CF)c1ccccc1 7d64cb3cbe64af938400dfa988412ca9 [0,1,1,0,0,0|2,0,0]=4 913 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Br e899298450f76af31763ee1474aca7b9 [0,1,1,0,0,0|1,0,1]=4 914 B15R1.101 C#CCCOC(CC)c1ccc(cc1)C deaafef954e3fd64ad1cef82e3c4586a [0,1,1,0,0,0|1,0,1]=4 915 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Cl b9d29424fa91f8252332dd48db4bd3b5 [0,1,1,0,0,0|1,0,1]=4 916 B15R1.101 C#CCCOC(CC)c1ccc(cc1)F acd733ec7f7011d93fde19d4c16404c4 [0,1,1,0,0,0|1,0,1]=4 917 B15R1.101 C#CCCOC(CC)c1ccc(cc1)I 82946369a2a9b0096f00c2720873096b [0,1,1,0,0,0|1,0,1]=4 918 B15R1.101 C#CCCO[C@@H](CC)c1ccc(cc1)F 2dddaba5995b6138913abb39f83c8568 [0,1,1,0,0,0|1,0,1]=4 919 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Br 260d743d077f295006ff728d78ffeae6 [0,1,1,0,0,0|1,0,1]=4 920 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)C 1bc2e444a471e1f78b2b0eed9ac07057 [0,1,1,0,0,0|1,0,1]=4 921 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Cl 52791478e05d4126466a599389eb7175 [0,1,1,0,0,0|1,0,1]=4 922 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)F 8155de87844f3486a3d96873f0b33c5d [0,1,1,0,0,0|1,0,1]=4 923 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)I cbef0379887b41cf287b116fba4d0256 [0,1,1,0,0,0|1,0,1]=4 924 B15R1.101 C/C=C/CO[C@@H](CC)c1ccc(cc1)F 9280f460bb58223484ad08f8c28cd513 [0,1,1,0,0,0|1,0,1]=4 925 B15R1.101 C/C=C\COC(CC)c1ccc(cc1)Br 749b7e5ad3e33524a3fe91b84371646f [0,1,1,0,0,0|1,0,1]=4 926 B15R1.101 C/C=C\COC(CC)c1ccc(cc1)C 1a7d0af7a08b9df4e53cfee8401b4c3c [0,1,1,0,0,0|1,0,1]=4 927 B15R1.101 C/C=C\COC(CC)c1ccc(cc1)Cl 3881e7e62372aba444c745ee45ecaecf [0,1,1,0,0,0|1,0,1]=4 928 B15R1.101 C/C=C\COC(CC)c1ccc(cc1)F 7a04049d65499e25877100918eba319e [0,1,1,0,0,0|1,0,1]=4 929 B15R1.101 C/C=C\COC(CC)c1ccc(cc1)I 89c470d1a80078feef3bb6755629b6c7 [0,1,1,0,0,0|1,0,1]=4 930 B15R1.101 C/C=C\CO[C@@H](CC)c1ccc(cc1)F d4132e96d2b2064a7d17d23801e4d901 [0,1,1,0,0,0|1,0,1]=4 931 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Br c8ea30c210f8141f2ac014502031ae04 [0,1,1,0,0,0|1,0,1]=4 932 B15R1.101 C=CCCOC(CC)c1ccc(cc1)C c7e2ab8ad63b145f9032f04be3c7e09e [0,1,1,0,0,0|1,0,1]=4 933 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Cl 4edd588e633afad8bfb44a5b99310966 [0,1,1,0,0,0|1,0,1]=4 934 B15R1.101 C=CCCOC(CC)c1ccc(cc1)F ad42c6fca1018ce1aac539348b5edee3 [0,1,1,0,0,0|1,0,1]=4 935 B15R1.101 C=CCCOC(CC)c1ccc(cc1)I b80834dfa6d3c8868e30fb7b7ede61c1 [0,1,1,0,0,0|1,0,1]=4 936 B15R1.101 C=CCCO[C@@H](CC)c1ccc(cc1)F 401c668200c7e70c9605549f369d47e2 [0,1,1,0,0,0|1,0,1]=4 937 B15R1.101 CC#CCOC(CC)c1ccc(cc1)F f9101d56518812c3265cb22504898f87 [0,1,1,0,0,0|1,0,1]=4 938 B15R1.101 CC=CCOC(CC)c1ccc(cc1)F 161675a5240820339055bee8cdf4c959 [0,1,1,0,0,0|1,0,1]=4 939 B15R1.101 CCC(NCCOC)c1ccc(cc1)Br b344894c0d40ef6aea6c7f15ec9f0d28 [0,1,1,0,0,0|2,0,0]=4 940 B15R1.101 CCC(NCCOC)c1ccc(cc1)C ffe75500970977b47c7aec8077e2f71f [0,1,1,0,0,0|2,0,0]=4 941 B15R1.101 CCC(NCCOC)c1ccc(cc1)Cl b4cb13ff5bdd841c72438757a736842b [0,1,1,0,0,0|2,0,0]=4 942 B15R1.101 CCC(NCCOC)c1ccc(cc1)F 2ba39caa13d8cef1c15ef4a10d0e5801 [0,1,1,0,0,0|2,0,0]=4 943 B15R1.101 CCC(NCCSC)c1ccc(cc1)Br 5d77aaadd0ff862092ceeb147f7d09c8 [0,1,1,0,0,0|2,0,0]=4 944 B15R1.101 CCC(NCCSC)c1ccc(cc1)C 18eac26e1f98211618351cdbde55496b [0,1,1,0,0,0|2,0,0]=4 945 B15R1.101 CCC(NCCSC)c1ccc(cc1)Cl 032caa44740fd468d05f9350742e9d60 [0,1,1,0,0,0|2,0,0]=4 946 B15R1.101 CCC(NCCSC)c1ccc(cc1)F 30774409af8cee620fea7ac23117fba6 [0,1,1,0,0,0|2,0,0]=4 947 B15R1.101 CCC(OCCC#N)c1ccc(cc1)Br 1bd731e6552ff8e50001888be9650b7e [0,1,1,0,0,0|2,0,0]=4 948 B15R1.101 CCC(OCCC#N)c1ccc(cc1)C f2e31897fb9b9dcaa76b0adf73224e93 [0,1,1,0,0,0|2,0,0]=4 949 B15R1.101 CCC(OCCC#N)c1ccc(cc1)Cl 9132c8b0844e9722ad4f65cb9443a4b5 [0,1,1,0,0,0|2,0,0]=4 950 B15R1.101 CCC(OCCC#N)c1ccc(cc1)F a24f867ce3599499d58e5d2e0a0c6200 [0,1,1,0,0,0|2,0,0]=4 951 B15R1.101 CCC(OCCC#N)c1ccc(cc1)I 48d04447f7b22d83a23020075c3c9d93 [0,1,1,0,0,0|2,0,0]=4 952 B15R1.101 CCC(OCCC=O)c1ccc(cc1)Br fffa9e57728704d46ec596da50a19b48 [0,1,1,0,0,0|2,0,0]=4 953 B15R1.101 CCC(OCCC=O)c1ccc(cc1)C 3e94f984d39f28cfcf33cab2ce6f75e2 [0,1,1,0,0,0|2,0,0]=4 954 B15R1.101 CCC(OCCC=O)c1ccc(cc1)Cl 099667b0158394b57b697340de188a76 [0,1,1,0,0,0|2,0,0]=4 955 B15R1.101 CCC(OCCC=O)c1ccc(cc1)F 95f8483ac1d37105f6764fd5745e587e [0,1,1,0,0,0|2,0,0]=4 956 B15R1.101 CCC(OCCC=O)c1ccc(cc1)I b2da40207af8ce79644ec52f39454f21 [0,1,1,0,0,0|2,0,0]=4 957 B15R1.101 CCC(OCCCF)c1ccc(cc1)Br cc592d1d6c9590c4b19564d005e2f7e7 [0,1,1,0,0,0|2,0,0]=4 958 B15R1.101 CCC(OCCCF)c1ccc(cc1)C bad7a8b44294626c040aaa58d067b238 [0,1,1,0,0,0|2,0,0]=4 959 B15R1.101 CCC(OCCCF)c1ccc(cc1)Cl e86a04357d6dfc65f593a07ab27ec715 [0,1,1,0,0,0|2,0,0]=4 960 B15R1.101 CCC(OCCCF)c1ccc(cc1)F e00a382a82578b09183ebea08f77d7ec [0,1,1,0,0,0|2,0,0]=4 961 B15R1.101 CCC(OCCCF)c1ccc(cc1)I 7d46a62af3ba4e5869586fca7ece55ae [0,1,1,0,0,0|2,0,0]=4 962 B15R1.101 CCC(OCCCS)c1ccc(cc1)Br ea7d04fae2bc2a288aad1a20f6a2d4f9 [0,1,1,0,0,0|2,0,0]=4 963 B15R1.101 CCC(OCCCS)c1ccc(cc1)C 3decd84cc5108916136d64b4b74d956c [0,1,1,0,0,0|2,0,0]=4 964 B15R1.101 CCC(OCCCS)c1ccc(cc1)Cl 80e3772b7b9cda15a8880a2ee1df7cfa [0,1,1,0,0,0|2,0,0]=4 965 B15R1.101 CCC(OCCCS)c1ccc(cc1)F 5bc663157654baa5563d39f4ee067b1f [0,1,1,0,0,0|2,0,0]=4 966 B15R1.101 CCC(OCCCS)c1ccc(cc1)I 93636e881196ba13582bb9f984cbaae8 [0,1,1,0,0,0|2,0,0]=4 967 B15R1.101 CCC(OCCOC)c1ccc(cc1)Br 186d089aca0752bf55c9472335e76810 [0,1,1,0,0,0|1,0,0]=3 968 B15R1.101 CCC(OCCOC)c1ccc(cc1)C f18acac32368c1afee44437bc8dc9f70 [0,1,1,0,0,0|1,0,0]=3 969 B15R1.101 CCC(OCCOC)c1ccc(cc1)Cl a2b5b52601fee7f4feea54628ce959b4 [0,1,1,0,0,0|1,0,0]=3 970 B15R1.101 CCC(OCCOC)c1ccc(cc1)F 4bb9bfd5a1a72e8d8df645c87ba02d55 [0,1,1,0,0,0|1,0,0]=3 971 B15R1.101 CCC(OCCOC)c1ccc(cc1)I 5e2ab075992f2454a5ba011e7cb392cb [0,1,1,0,0,0|1,0,0]=3 972 B15R1.101 CCC(OCCSC)c1ccc(cc1)Br 516f29eda1240c9d3bd04f70ecf584d9 [0,1,1,0,0,0|1,0,0]=3 973 B15R1.101 CCC(OCCSC)c1ccc(cc1)C dc88195e81aca7338ae7885345c04fdf [0,1,1,0,0,0|1,0,0]=3 974 B15R1.101 CCC(OCCSC)c1ccc(cc1)Cl 202a4759d79f93394757d3796cd52d56 [0,1,1,0,0,0|1,0,0]=3 975 B15R1.101 CCC(OCCSC)c1ccc(cc1)F 95b1f937ac9fcf4e6ff163b1e9d668c6 [0,1,1,0,0,0|1,0,0]=3 976 B15R1.101 CCC(OCCSC)c1ccc(cc1)I 33845a3bd03289a0f4e465bb362f7a1b [0,1,1,0,0,0|1,0,0]=3 977 B15R1.101 CCCCNC(CC)c1ccc(cc1)Br 0842a3be20a11060755decd11696e9ef [0,1,1,0,0,0|2,0,0]=4 978 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 8b5d8d8380c6a71372b4c3e265c71e13 [0,1,1,0,0,0|2,0,0]=4 979 B15R1.101 CCCCNC(CC)c1ccc(cc1)Cl 7d81c4ad5620a2ac231703434cdc92db [0,1,1,0,0,0|2,0,0]=4 980 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 497e732555ed0763fd8c0954a7243f09 [0,1,1,0,0,0|2,0,0]=4 981 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Br dbc6b82c824a358458d52ec5d5d4bfd5 [0,1,1,0,0,0|2,0,0]=4 982 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Cl 3a970cbb47f5a957a5afb8621b342afa [0,1,1,0,0,0|2,0,0]=4 983 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)F ea6f6daf229b0680fa6105ed7ff93b58 [0,1,1,0,0,0|2,0,0]=4 984 B15R1.101 CCCCN[C@H](CC)c1ccc(cc1)Br 18fb4701d2c4c99f138116a8afea0eb0 [0,1,1,0,0,0|2,0,0]=4 985 B15R1.101 CCCCN[C@H](CC)c1ccc(cc1)Cl 6dbe54e75eef5845a675cff12502706b [0,1,1,0,0,0|2,0,0]=4 986 B15R1.101 CCCCN[C@H](CC)c1ccc(cc1)F 921281e20601a37382dba434d5c9e536 [0,1,1,0,0,0|2,0,0]=4 987 B15R1.101 CCCCOC(CC)c1ccc(cc1)Br 98072d38b9d1ba9131f685a56cd85807 [0,1,1,0,0,0|1,0,0]=3 988 B15R1.101 CCCCOC(CC)c1ccc(cc1)C 1ecb82f1ffac57d86f64538e1c45eff8 [0,1,1,0,0,0|1,0,0]=3 989 B15R1.101 CCCCOC(CC)c1ccc(cc1)Cl a5847778d6a57b29ee3167ba0e88ac5c [0,1,1,0,0,0|1,0,0]=3 990 B15R1.101 CCCCOC(CC)c1ccc(cc1)F d10b123f82382706737c8b90be224149 [0,1,1,0,0,0|1,0,0]=3 991 B15R1.101 CCCCOC(CC)c1ccc(cc1)I 54b7a84ba9e9a6f9e8b7166b3b868606 [0,1,1,0,0,0|1,0,0]=3 992 B15R1.101 CCCCO[C@@H](CC)c1ccc(cc1)F 05b45d32b9e63822d21c9d4ffa2c5f07 [0,1,1,0,0,0|1,0,0]=3 993 B15R1.101 CCOCOC(CC)c1ccc(cc1)I edab3ab6cc55b85d3ca123e603853b40 [0,1,1,0,0,0|2,0,0]=4 994 B15R1.101 CC[C@@H](NCCOC)c1ccc(cc1)Br de58b2d2dd851c1df9ce30173179e8a8 [0,1,1,0,0,0|2,0,0]=4 995 B15R1.101 CC[C@@H](NCCOC)c1ccc(cc1)Cl 9efdc72016547bb48c6860e8ba1b4d73 [0,1,1,0,0,0|2,0,0]=4 996 B15R1.101 CC[C@@H](NCCOC)c1ccc(cc1)F 1bc3cd5a77fb4780957eb0327573bee1 [0,1,1,0,0,0|2,0,0]=4 997 B15R1.101 CC[C@@H](NCCSC)c1ccc(cc1)Br e2818a871f579f738eb1d89257339cc9 [0,1,1,0,0,0|2,0,0]=4 998 B15R1.101 CC[C@@H](NCCSC)c1ccc(cc1)Cl 850871c51123b25b92f788b233eba168 [0,1,1,0,0,0|2,0,0]=4 999 B15R1.101 CC[C@@H](NCCSC)c1ccc(cc1)F 2ab1e5fdd17419d89b2401e1c1bc0e3c [0,1,1,0,0,0|2,0,0]=4 1000 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Br ee645df8d5a3478f3a2b7576d00e05e3 [0,1,1,0,0,0|2,0,0]=4 1001 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Cl 0814af23dd0941fa295f4a1a615953bc [0,1,1,0,0,0|2,0,0]=4 1002 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)F 0099406d889d327fee2227d454ff06ff [0,1,1,0,0,0|2,0,0]=4 1003 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Br 287739efb003c805b4acae38d50b3513 [0,1,1,0,0,0|2,0,0]=4 1004 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Cl 49caff310e29f97bc86a39a05d53c4ce [0,1,1,0,0,0|2,0,0]=4 1005 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)F b7b4fd67abf947ed381d785edab25465 [0,1,1,0,0,0|2,0,0]=4 1006 B15R1.101 CC[C@H](OCCC#N)c1ccc(cc1)F c202fa9f2312e6c02dedc4c3dcc41fc3 [0,1,1,0,0,0|2,0,0]=4 1007 B15R1.101 CC[C@H](OCCC=O)c1ccc(cc1)F 1159535da5f717444588115e1fb3fdd1 [0,1,1,0,0,0|2,0,0]=4 1008 B15R1.101 CC[C@H](OCCCF)c1ccc(cc1)F c5d13ed8c243e780fb79bd49b6ba4ba4 [0,1,1,0,0,0|2,0,0]=4 1009 B15R1.101 CC[C@H](OCCCS)c1ccc(cc1)F 9ea973a708a90f892257aae5a4dfbd3e [0,1,1,0,0,0|2,0,0]=4 1010 B15R1.101 CC[C@H](OCCOC)c1ccc(cc1)F 5b6ce95fac964665a85d4cc4f1c58d2a [0,1,1,0,0,0|1,0,0]=3 1011 B15R1.101 CC[C@H](OCCSC)c1ccc(cc1)F eec28521fbc837964f89a2cbdc72c941 [0,1,1,0,0,0|1,0,0]=3 1012 B15R1.102 C#CCCOC(CC)c1cccc(c1)Br b20c2afe086cc503c948b82fa28ed156 [0,1,1,0,0,0|1,0,1]=4 1013 B15R1.102 C#CCCOC(CC)c1cccc(c1)Cl 2f7add0d6b493985c7e710a314bc0f8f [0,1,1,0,0,0|1,0,1]=4 1014 B15R1.102 C#CCCOC(CC)c1cccc(c1)F 43aea9c9c4cb61abac62749ab5c9f611 [0,1,1,0,0,0|1,0,1]=4 1015 B15R1.102 C#CCCOC(CC)c1cccc(c1)I 81de1200cff27f3f46c1026c67ebd01a [0,1,1,0,0,0|1,0,1]=4 1016 B15R1.102 C/C=C/COC(CC)c1cccc(c1)Br 752d795181a04a984094006174ff3dd9 [0,1,1,0,0,0|1,0,1]=4 1017 B15R1.102 C/C=C/COC(CC)c1cccc(c1)Cl 433b94951bc678158c3c71f4dfdeb142 [0,1,1,0,0,0|1,0,1]=4 1018 B15R1.102 C/C=C/COC(CC)c1cccc(c1)F 9952cd6494499e73301e1e620a567baa [0,1,1,0,0,0|1,0,1]=4 1019 B15R1.102 C/C=C/COC(CC)c1cccc(c1)I 3a7b3ce5d98c8dd8d22eeadd21ce9d35 [0,1,1,0,0,0|1,0,1]=4 1020 B15R1.102 C/C=C\COC(CC)c1cccc(c1)Br 3b59b0349567c117cb8f03664a13e71b [0,1,1,0,0,0|1,0,1]=4 1021 B15R1.102 C/C=C\COC(CC)c1cccc(c1)Cl dee9b06bc738c0121fbb0b30a415e75b [0,1,1,0,0,0|1,0,1]=4 1022 B15R1.102 C/C=C\COC(CC)c1cccc(c1)F 0fa9c94b872c4387048ccae9ccdd38c4 [0,1,1,0,0,0|1,0,1]=4 1023 B15R1.102 C/C=C\COC(CC)c1cccc(c1)I 40847a5e3b979ffa57f044c171dc85b3 [0,1,1,0,0,0|1,0,1]=4 1024 B15R1.102 C=CCCOC(CC)c1cccc(c1)Br 30480f4d238b7f3fd7695e940b1efd22 [0,1,1,0,0,0|1,0,1]=4 1025 B15R1.102 C=CCCOC(CC)c1cccc(c1)Cl ed8776a232c4836aabb9584208e8f9f7 [0,1,1,0,0,0|1,0,1]=4 1026 B15R1.102 C=CCCOC(CC)c1cccc(c1)F 5a3e1406cc3da75e1aec9bc5e2ca66d1 [0,1,1,0,0,0|1,0,1]=4 1027 B15R1.102 C=CCCOC(CC)c1cccc(c1)I 9a4de506aeeb7fe53a003f43a989805c [0,1,1,0,0,0|1,0,1]=4 1028 B15R1.102 CCC(NCCOC)c1cccc(c1)Br 1d33ccb3a835130e98d463c68e81292e [0,1,1,0,0,0|2,0,0]=4 1029 B15R1.102 CCC(NCCOC)c1cccc(c1)C 1285330636df7b2ee09d0981a1670dd0 [0,1,1,0,0,0|2,0,0]=4 1030 B15R1.102 CCC(NCCOC)c1cccc(c1)Cl 94a0a25060cb0c4bac77dca51c3e6e52 [0,1,1,0,0,0|2,0,0]=4 1031 B15R1.102 CCC(NCCOC)c1cccc(c1)F 9cf6313acf49e1d776a9671ed61908d8 [0,1,1,0,0,0|2,0,0]=4 1032 B15R1.102 CCC(NCCSC)c1cccc(c1)Br a24ee8d1dd48820587c7476c4b83cb18 [0,1,1,0,0,0|2,0,0]=4 1033 B15R1.102 CCC(NCCSC)c1cccc(c1)C 309e4cabaa201478ee4bf3fec1eb7c17 [0,1,1,0,0,0|2,0,0]=4 1034 B15R1.102 CCC(NCCSC)c1cccc(c1)Cl 100b180ffee4f651fc06d87de7f938af [0,1,1,0,0,0|2,0,0]=4 1035 B15R1.102 CCC(NCCSC)c1cccc(c1)F 90767afecbafaf4fe8566901826de6eb [0,1,1,0,0,0|2,0,0]=4 1036 B15R1.102 CCC(OCCC#N)c1cccc(c1)Br 37639bd1727ad2a4c96a898ae22b7b1f [0,1,1,0,0,0|2,0,0]=4 1037 B15R1.102 CCC(OCCC#N)c1cccc(c1)Cl c0adfe65c141a2664ed69c4ac20a95be [0,1,1,0,0,0|2,0,0]=4 1038 B15R1.102 CCC(OCCC#N)c1cccc(c1)F 5bd19e42b0ec82b45b1fcce9274b5d8a [0,1,1,0,0,0|2,0,0]=4 1039 B15R1.102 CCC(OCCC#N)c1cccc(c1)I d74110116b2e2274a8e9fc0f08b56595 [0,1,1,0,0,0|2,0,0]=4 1040 B15R1.102 CCC(OCCC=O)c1cccc(c1)Br b34ec37257fea7c75cee71bc9c2d856b [0,1,1,0,0,0|2,0,0]=4 1041 B15R1.102 CCC(OCCC=O)c1cccc(c1)Cl 6fbe70b75fe22f0c4352fc629d5dcb86 [0,1,1,0,0,0|2,0,0]=4 1042 B15R1.102 CCC(OCCC=O)c1cccc(c1)F bf5e36901e87492b9ee2a5a9f28270f5 [0,1,1,0,0,0|2,0,0]=4 1043 B15R1.102 CCC(OCCC=O)c1cccc(c1)I 27442f9084623f768dc537a62247bf7d [0,1,1,0,0,0|2,0,0]=4 1044 B15R1.102 CCC(OCCCF)c1cccc(c1)Br a2b6cc8713ceaafc212a92d8c1475970 [0,1,1,0,0,0|2,0,0]=4 1045 B15R1.102 CCC(OCCCF)c1cccc(c1)Cl dc406e4a3998f6bbe640f4ef7c078cd4 [0,1,1,0,0,0|2,0,0]=4 1046 B15R1.102 CCC(OCCCF)c1cccc(c1)F 6cb072b62c1209bbcfd2e2a4498e961c [0,1,1,0,0,0|2,0,0]=4 1047 B15R1.102 CCC(OCCCF)c1cccc(c1)I 28e9d35d6a9dd5255a6d78e6fe11f006 [0,1,1,0,0,0|2,0,0]=4 1048 B15R1.102 CCC(OCCCS)c1cccc(c1)Br 1596824fb0b9f8105b98adab95a32e34 [0,1,1,0,0,0|2,0,0]=4 1049 B15R1.102 CCC(OCCCS)c1cccc(c1)Cl 942a8aa19fbd8b1ae7b87c55c6ee50ef [0,1,1,0,0,0|2,0,0]=4 1050 B15R1.102 CCC(OCCCS)c1cccc(c1)F 73053c4054d3e452452e8231e932537a [0,1,1,0,0,0|2,0,0]=4 1051 B15R1.102 CCC(OCCCS)c1cccc(c1)I 25f6482aa60a77ada3f6e36c91036ba0 [0,1,1,0,0,0|2,0,0]=4 1052 B15R1.102 CCC(OCCOC)c1cccc(c1)Br 64b0647b008c8428a8462dcd21b803bd [0,1,1,0,0,0|1,0,0]=3 1053 B15R1.102 CCC(OCCOC)c1cccc(c1)Cl e598be397ad00f7ff6edd2231b6ed455 [0,1,1,0,0,0|1,0,0]=3 1054 B15R1.102 CCC(OCCOC)c1cccc(c1)F bebdad9a14e313c17730e2f83bf08956 [0,1,1,0,0,0|1,0,0]=3 1055 B15R1.102 CCC(OCCOC)c1cccc(c1)I 05c85989d829a2fdb514561b3a8ba97d [0,1,1,0,0,0|1,0,0]=3 1056 B15R1.102 CCC(OCCOC)c1ccnc(c1)Cl 112b9101e95ccd693e9a1b616a00ae95 [0,1,1,0,0,0|2,0,0]=4 1057 B15R1.102 CCC(OCCOC)c1cncc(c1)Br 30f3b4822a63e44971e6e3045c4da411 [0,1,1,0,0,0|2,0,0]=4 1058 B15R1.102 CCC(OCCOC)c1cncc(c1)Cl 37b607dffabcda884ade0c3b29574117 [0,1,1,0,0,0|2,0,0]=4 1059 B15R1.102 CCC(OCCOC)c1cncc(c1)F 62bd8372ce087b91c38a99c2e0895e75 [0,1,1,0,0,0|2,0,0]=4 1060 B15R1.102 CCC(OCCSC)c1cccc(c1)Br e731edbe8b8f702f6d1a68b1a4b66ca7 [0,1,1,0,0,0|1,0,0]=3 1061 B15R1.102 CCC(OCCSC)c1cccc(c1)Cl 2b57958e4a7359b77386af88d90cbcef [0,1,1,0,0,0|1,0,0]=3 1062 B15R1.102 CCC(OCCSC)c1cccc(c1)F 36ce698a2eae1845a54b6a4050a20ffe [0,1,1,0,0,0|1,0,0]=3 1063 B15R1.102 CCC(OCCSC)c1cccc(c1)I 716265c4fbbfcafe92461c9bb1ccc68f [0,1,1,0,0,0|1,0,0]=3 1064 B15R1.102 CCC(OCCSC)c1ccnc(c1)Cl 1991d99389428b0ecb38df2d094729ce [0,1,1,0,0,0|2,0,0]=4 1065 B15R1.102 CCC(OCCSC)c1cncc(c1)Br 8f3c8bec3240e97c08b9869cf94cd535 [0,1,1,0,0,0|2,0,0]=4 1066 B15R1.102 CCC(OCCSC)c1cncc(c1)Cl c5e83918f2374e91cfd1c88734d7d6b9 [0,1,1,0,0,0|2,0,0]=4 1067 B15R1.102 CCC(OCCSC)c1cncc(c1)F 3a975f69bfe21ee2f06b9f54f4fcde9d [0,1,1,0,0,0|2,0,0]=4 1068 B15R1.102 CCCCNC(CC)c1cccc(c1)Br df02b2ebf93ea6f128e46a7c655ad1e6 [0,1,1,0,0,0|2,0,0]=4 1069 B15R1.102 CCCCNC(CC)c1cccc(c1)C 2b40f25c939bb987263cbc41d6a5fda7 [0,1,1,0,0,0|2,0,0]=4 1070 B15R1.102 CCCCNC(CC)c1cccc(c1)Cl 2847743ad786db4fef7a8641fd143e7e [0,1,1,0,0,0|2,0,0]=4 1071 B15R1.102 CCCCNC(CC)c1cccc(c1)F 2507537775c871ae050bb9456b257137 [0,1,1,0,0,0|2,0,0]=4 1072 B15R1.102 CCCCN[C@@H](CC)c1cccc(c1)Br 1093fed10c1b438e15a99bec42e11638 [0,1,1,0,0,0|2,0,0]=4 1073 B15R1.102 CCCCN[C@@H](CC)c1cccc(c1)Cl 5ac1d684c882ec7623e76bc9cd6b8ae2 [0,1,1,0,0,0|2,0,0]=4 1074 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)Br d6fb415039e921b835f97bd5674c725a [0,1,1,0,0,0|2,0,0]=4 1075 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)C 703812d0fdc50d26c83b64580411c369 [0,1,1,0,0,0|2,0,0]=4 1076 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)Cl 4eed9d4124f78f9cbb5cdb0acb8644a8 [0,1,1,0,0,0|2,0,0]=4 1077 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)F 753834aa2677f85bd483b99cd732793a [0,1,1,0,0,0|2,0,0]=4 1078 B15R1.102 CCCCOC(CC)c1cccc(c1)Br d1a146abef86d376662de5ecab7e1e83 [0,1,1,0,0,0|1,0,0]=3 1079 B15R1.102 CCCCOC(CC)c1cccc(c1)Cl af817185cf1c36683cd37c8fe1ab6e1e [0,1,1,0,0,0|1,0,0]=3 1080 B15R1.102 CCCCOC(CC)c1cccc(c1)F a792c013714b98765a7b1c182459d7f2 [0,1,1,0,0,0|1,0,0]=3 1081 B15R1.102 CCCCOC(CC)c1cccc(c1)I f6b5bdc25fd42f51b3f348d591fa532a [0,1,1,0,0,0|1,0,0]=3 1082 B15R1.102 CCCCOC(CC)c1ccnc(c1)Cl 38afbe7267a13c6874e6f73bf3f01ad7 [0,1,1,0,0,0|2,0,0]=4 1083 B15R1.102 CCCCOC(CC)c1cncc(c1)Br b31a80545776b3720f5f8183001a717c [0,1,1,0,0,0|2,0,0]=4 1084 B15R1.102 CCCCOC(CC)c1cncc(c1)Cl d6f7b2d68b3cd46b4836670c28e40b68 [0,1,1,0,0,0|2,0,0]=4 1085 B15R1.102 CCCCOC(CC)c1cncc(c1)F 520a56a75074e12bc8e47691767a9639 [0,1,1,0,0,0|2,0,0]=4 1086 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)Br d36722d6cf7a3add2d14daf64abdbfc3 [0,1,1,0,0,0|2,0,0]=4 1087 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)C 53c3c5626a91d2493f1df1e569492c10 [0,1,1,0,0,0|2,0,0]=4 1088 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)Cl 6792e0304b4fcf99858e6d4d3efcb57c [0,1,1,0,0,0|2,0,0]=4 1089 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)F 0c7cc5dcb867a028bf37210f67e61f7d [0,1,1,0,0,0|2,0,0]=4 1090 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)Br c47aacc4c8164151a127549e0431f9c8 [0,1,1,0,0,0|2,0,0]=4 1091 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)C a941277b5c37c7fd102fccfa44fc9c6e [0,1,1,0,0,0|2,0,0]=4 1092 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)Cl 7c6e5ac2bc729694d8c37d630a4ba40a [0,1,1,0,0,0|2,0,0]=4 1093 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)F db60d3da1f861d41255978f8fb16e140 [0,1,1,0,0,0|2,0,0]=4 1094 B15R1.102 CC[C@H](NCCOC)c1cccc(c1)Br d2b5345b32f83eedcee1165b9d75cbf2 [0,1,1,0,0,0|2,0,0]=4 1095 B15R1.102 CC[C@H](NCCOC)c1cccc(c1)Cl e5ed1db9b863a562a1e6d1475295e1c0 [0,1,1,0,0,0|2,0,0]=4 1096 B15R1.102 CC[C@H](NCCSC)c1cccc(c1)Br 5e2609d456a0d9eeaf15b9a01e887afc [0,1,1,0,0,0|2,0,0]=4 1097 B15R1.102 CC[C@H](NCCSC)c1cccc(c1)Cl db6288de633697aa0684c4d8879b6717 [0,1,1,0,0,0|2,0,0]=4 1098 B15R1.1097 C=C(COC(CC)c1ccccc1)OC 5c3dcd3d2576828f1a7a64bc0a0becbc [0,1,1,0,0,0|1,0,1]=4 1099 B15R1.1097 C=C(CO[C@@H](CC)c1ccccc1)OC 9b511ea9714770febac5dc56b58b6c2a [0,1,1,0,0,0|1,0,1]=4 1100 B15R1.1097 C=C(CO[C@H](CC)c1ccccc1)OC ce08db62d334569122cb7a85ad43c020 [0,1,1,0,0,0|1,0,1]=4 1101 B15R1.1097 C=CC(C)COC(CC)c1ccccc1 f9fc191194a366641e3ca106959dfeb5 [0,1,1,0,0,0|1,0,1]=4 1102 B15R1.1097 CCC(=O)COC(CC)c1ccccc1 092f970b220c8c123fad61eb2b09a3d1 [0,1,1,0,0,0|1,0,1]=4 1103 B15R1.1097 CCC(=O)CO[C@@H](CC)c1ccccc1 856bbeaf466970f42869a057bea707c1 [0,1,1,0,0,0|1,0,1]=4 1104 B15R1.1097 CCC(=O)CO[C@H](CC)c1ccccc1 acb37f569754ce05eec47f937aeea07e [0,1,1,0,0,0|1,0,1]=4 1105 B15R1.1097 CCC(C)CNC(CC)c1ccccc1 cdf316d2d47be8af8e9b218c8de5afb2 [0,1,1,0,0,0|2,0,0]=4 1106 B15R1.1097 CCC(C)CN[C@@H](CC)c1ccccc1 2c763e2543d9696be6247e486d3d1a99 [0,1,1,0,0,0|2,0,0]=4 1107 B15R1.1097 CCC(C)CN[C@H](CC)c1ccccc1 b9987a0ff2a10b7ad0ff4eef4d7a7e4e [0,1,1,0,0,0|2,0,0]=4 1108 B15R1.1097 CCC(C)COC(CC)c1ccccc1 883a92255d422ef652a0aff00f765c34 [0,1,1,0,0,0|1,0,0]=3 1109 B15R1.1097 CCC(C)COC(CF)c1ccccc1 49fbb02ea7ad4d74f8ce287486136b68 [0,1,1,0,0,0|2,0,0]=4 1110 B15R1.1097 CCC(C)CO[C@@H](CC)c1ccccc1 0ca36697ddc126a7878682e85025d9f0 [0,1,1,0,0,0|1,0,0]=3 1111 B15R1.1097 CCC(C)CO[C@H](CC)c1ccccc1 1a6c1a09dbff62b814db205ae9bb41fa [0,1,1,0,0,0|1,0,0]=3 1112 B15R1.1097 CCC(C)CO[C@H](CF)c1ccccc1 a6b723caa1c44a18c34a846c1e51ea1d [0,1,1,0,0,0|2,0,0]=4 1113 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 0441acc2f743df883451161f82f161ee [0,1,1,0,0,0|1,0,1]=4 1114 B15R1.1097 CCC(NCC(C)OC)c1ccccc1 80f565eb32430b9887265530955d05d5 [0,1,1,0,0,0|2,0,0]=4 1115 B15R1.1097 CCC(NC[C@@H](C)CC)c1ccccc1 51a0506918ec8c3a3a838281ef7da23b [0,1,1,0,0,0|2,0,0]=4 1116 B15R1.1097 CCC(NC[C@@H](C)OC)c1ccccc1 2f832126962f2e72c145b5103aab43e2 [0,1,1,0,0,0|2,0,0]=4 1117 B15R1.1097 CCC(NC[C@H](C)CC)c1ccccc1 9b576363e07403566250d53518be7003 [0,1,1,0,0,0|2,0,0]=4 1118 B15R1.1097 CCC(NC[C@H](C)OC)c1ccccc1 2c7ae2aafe2655d4693fc8048f4dfbb8 [0,1,1,0,0,0|2,0,0]=4 1119 B15R1.1097 CCC(NC[C@H](O)CC)c1ccccc1 33c5fa9f61cb2e9f38056c650e320d4e [0,1,1,0,0,0|2,0,0]=4 1120 B15R1.1097 CCC(O)CNC(CC)c1ccccc1 edd1914d5a96f609dcb797a929d2c45f [0,1,1,0,0,0|2,0,0]=4 1121 B15R1.1097 CCC(O)CN[C@@H](CC)c1ccccc1 d80ca0c3722ca223d7e7f0c7b123fb02 [0,1,1,0,0,0|2,0,0]=4 1122 B15R1.1097 CCC(O)CN[C@H](CC)c1ccccc1 0fdf4e8fe36c3e85085c891a4373145a [0,1,1,0,0,0|2,0,0]=4 1123 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 9249f8fb980c0bb06c2d4f41458711e0 [0,1,1,0,0,0|0,0,1]=3 1124 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 6dae1365c6c43c76742970f10b114977 [0,1,1,0,0,0|1,0,1]=4 1125 B15R1.1097 CCC(OCC(Br)CBr)c1ccccc1 8cdc7682c6bca397a476a446ba122f21 [0,1,1,0,0,0|2,0,0]=4 1126 B15R1.1097 CCC(OCC(C)C#N)c1ccccc1 b48afbd8b666e94dac80ff1ea2537311 [0,1,1,0,0,0|2,0,0]=4 1127 B15R1.1097 CCC(OCC(C)OC)c1ccccc1 7a8c5f971bd7d5fe0c0c3aeef45c06cf [0,1,1,0,0,0|1,0,0]=3 1128 B15R1.1097 CCC(OCC(Cl)CCl)c1ccccc1 049e3a4fe1f7f32953455e50064d9502 [0,1,1,0,0,0|2,0,0]=4 1129 B15R1.1097 CCC(OCC(O)CO)c1ccccc1 5351d15f62c985f8704df2d1cb080b81 [0,1,1,0,0,0|2,0,0]=4 1130 B15R1.1097 CCC(OCC(S)CS)c1ccccc1 d05f10e91fd50f5a22267b678b5fa07b [0,1,1,0,0,0|2,0,0]=4 1131 B15R1.1097 CCC(OC[C@@H](C)CC)c1ccccc1 f4e31512165350691357693e29e80c7a [0,1,1,0,0,0|1,0,0]=3 1132 B15R1.1097 CCC(OC[C@@H](C)OC)c1ccccc1 fd80c5926a8706f0c135d398fd53c0c9 [0,1,1,0,0,0|1,0,0]=3 1133 B15R1.1097 CCC(OC[C@@H](O)CO)c1ccccc1 e5c95cbb3554589bc1e94d7e0c5f6241 [0,1,1,0,0,0|2,0,0]=4 1134 B15R1.1097 CCC(OC[C@H](C)CC)c1ccccc1 03be398fb35c3251fb1038b777e160eb [0,1,1,0,0,0|1,0,0]=3 1135 B15R1.1097 CCC(OC[C@H](C)OC)c1ccccc1 d955d102ea34fecb3ca0a1bccdf2f2f6 [0,1,1,0,0,0|1,0,0]=3 1136 B15R1.1097 CCC(OC[C@H](O)CO)c1ccccc1 22445d777218f10ec422c47355487e3e [0,1,1,0,0,0|2,0,0]=4 1137 B15R1.1097 CC[C@@H](C)CN[C@@H](CC)c1ccccc1 066ccad8be76b8f58115e97f0ab8a6cf [0,1,1,0,0,0|2,0,0]=4 1138 B15R1.1097 CC[C@@H](C)CN[C@H](CC)c1ccccc1 2dca156e31b09ced4d118ba00d76b805 [0,1,1,0,0,0|2,0,0]=4 1139 B15R1.1097 CC[C@@H](C)COC(CF)c1ccccc1 f02f61f3dbff494b391c4dc4a57bf476 [0,1,1,0,0,0|2,0,0]=4 1140 B15R1.1097 CC[C@@H](C)CO[C@@H](CC)c1ccccc1 a8a4a733f259bf95d346fbaf7861528e [0,1,1,0,0,0|1,0,0]=3 1141 B15R1.1097 CC[C@@H](C)CO[C@H](CC)c1ccccc1 a72f59ba073fa9b6f4e3dbd5cb8d5eef [0,1,1,0,0,0|1,0,0]=3 1142 B15R1.1097 CC[C@@H](C)CO[C@H](CF)c1ccccc1 3a85d146d9748e0a5729f61f3fae3fd5 [0,1,1,0,0,0|2,0,0]=4 1143 B15R1.1097 CC[C@@H](NCC(=O)NC)c1ccccc1 56d756845c6b57fcf2fc3fd44c989cce [0,1,1,0,0,0|1,0,1]=4 1144 B15R1.1097 CC[C@@H](NCC(C)OC)c1ccccc1 03dc3c1c32d6ad9acf492177074f080b [0,1,1,0,0,0|2,0,0]=4 1145 B15R1.1097 CC[C@@H](NC[C@@H](C)OC)c1ccccc1 2d65d1cea21a6a36eb68bf0d17e4cc44 [0,1,1,0,0,0|2,0,0]=4 1146 B15R1.1097 CC[C@@H](NC[C@H](C)OC)c1ccccc1 abef4ce26eee93e8caced2ebbef564e6 [0,1,1,0,0,0|2,0,0]=4 1147 B15R1.1097 CC[C@@H](OCC(=O)NC)c1ccccc1 9a4bcf00dcf33a412657929889f5cced [0,1,1,0,0,0|0,0,1]=3 1148 B15R1.1097 CC[C@@H](OCC(=O)OC)c1ccccc1 60365b471f1dbc577158d4164991d7f6 [0,1,1,0,0,0|1,0,1]=4 1149 B15R1.1097 CC[C@@H](OCC(C)C#N)c1ccccc1 a40d174bcb759ead34f86a77431f1e2f [0,1,1,0,0,0|2,0,0]=4 1150 B15R1.1097 CC[C@@H](OCC(C)OC)c1ccccc1 3599adfd0d078f2e851de4b05491ca87 [0,1,1,0,0,0|1,0,0]=3 1151 B15R1.1097 CC[C@@H](OCC(O)CO)c1ccccc1 3fa3a8616bf87b897964cdd3e49371b4 [0,1,1,0,0,0|2,0,0]=4 1152 B15R1.1097 CC[C@@H](OC[C@@H](C)OC)c1ccccc1 b00dfa6b4bb5f80c762eea7855cc2390 [0,1,1,0,0,0|1,0,0]=3 1153 B15R1.1097 CC[C@@H](OC[C@@H](O)CO)c1ccccc1 994d1eb704caa34e0f82ed3d82ff673a [0,1,1,0,0,0|2,0,0]=4 1154 B15R1.1097 CC[C@@H](OC[C@H](C)OC)c1ccccc1 18ba9bf38b10acada307e8ae91351ae5 [0,1,1,0,0,0|1,0,0]=3 1155 B15R1.1097 CC[C@@H](OC[C@H](O)CO)c1ccccc1 059dd0528b4134ff0820013833891a62 [0,1,1,0,0,0|2,0,0]=4 1156 B15R1.1097 CC[C@H](C)CN[C@@H](CC)c1ccccc1 9b60ea6b6528640bb54c09e6ed4fb6c6 [0,1,1,0,0,0|2,0,0]=4 1157 B15R1.1097 CC[C@H](C)CN[C@H](CC)c1ccccc1 adf0e211b2c40b32c96ec853960133ea [0,1,1,0,0,0|2,0,0]=4 1158 B15R1.1097 CC[C@H](C)COC(CF)c1ccccc1 e270327869327debc575e755a415e96a [0,1,1,0,0,0|2,0,0]=4 1159 B15R1.1097 CC[C@H](C)CO[C@@H](CC)c1ccccc1 4c7bb8d13ad26ca34dbc6b9192b49e20 [0,1,1,0,0,0|1,0,0]=3 1160 B15R1.1097 CC[C@H](C)CO[C@H](CC)c1ccccc1 ed16fec3ad58776143e27dececada736 [0,1,1,0,0,0|1,0,0]=3 1161 B15R1.1097 CC[C@H](C)CO[C@H](CF)c1ccccc1 e29c7b0966b8e57a857cd98791ab22fb [0,1,1,0,0,0|2,0,0]=4 1162 B15R1.1097 CC[C@H](NCC(=O)NC)c1ccccc1 b1676cc124f08161eda9cb868b0b4a7a [0,1,1,0,0,0|1,0,1]=4 1163 B15R1.1097 CC[C@H](NCC(C)OC)c1ccccc1 22c2b3dc22b2ed2771f5f1c8cda50eea [0,1,1,0,0,0|2,0,0]=4 1164 B15R1.1097 CC[C@H](NC[C@@H](C)OC)c1ccccc1 03517878b442b536773bb0ac05606a7d [0,1,1,0,0,0|2,0,0]=4 1165 B15R1.1097 CC[C@H](NC[C@H](C)OC)c1ccccc1 5a5f486d220466a7cc089685666c09a7 [0,1,1,0,0,0|2,0,0]=4 1166 B15R1.1097 CC[C@H](OCC(=O)NC)c1ccccc1 22b1f0ace8ff0c7cdde5fca955283da2 [0,1,1,0,0,0|0,0,1]=3 1167 B15R1.1097 CC[C@H](OCC(=O)OC)c1ccccc1 44ad7f4f06e0e2c27a91e85e0cd86d21 [0,1,1,0,0,0|1,0,1]=4 1168 B15R1.1097 CC[C@H](OCC(C)C#N)c1ccccc1 c41f36cfed101d7d2ce3cac7b37ffefc [0,1,1,0,0,0|2,0,0]=4 1169 B15R1.1097 CC[C@H](OCC(C)OC)c1ccccc1 fea93d64c2d068b0c661d61f6ec2eaf8 [0,1,1,0,0,0|1,0,0]=3 1170 B15R1.1097 CC[C@H](OCC(O)CO)c1ccccc1 5df8337358a956f19bfb01e7d7588589 [0,1,1,0,0,0|2,0,0]=4 1171 B15R1.1097 CC[C@H](OC[C@@H](C)OC)c1ccccc1 a4ac12a9d4f3badc84720209e995b23d [0,1,1,0,0,0|1,0,0]=3 1172 B15R1.1097 CC[C@H](OC[C@@H](O)CO)c1ccccc1 965bff34f3c25de40caf36695a4ab999 [0,1,1,0,0,0|2,0,0]=4 1173 B15R1.1097 CC[C@H](OC[C@H](C)OC)c1ccccc1 a37a98a9e05095bda4b502f655cd7107 [0,1,1,0,0,0|1,0,0]=3 1174 B15R1.1097 CC[C@H](OC[C@H](O)CO)c1ccccc1 86c9f94ef0e50f44540fb8f3eef46b3e [0,1,1,0,0,0|2,0,0]=4 1175 B15R1.1097 CNC(=O)COC(CF)c1ccccc1 cbc9d0a47bd0c72da0f2fed99d548d93 [0,1,1,0,0,0|1,0,1]=4 1176 B15R1.1097 CNC(=O)CO[C@H](CF)c1ccccc1 f64e7c73e17abf1b7778dd466e2581cf [0,1,1,0,0,0|1,0,1]=4 1177 B15R1.1097 COC(C)COC(CF)c1ccccc1 bc550aecb3fd4bfb3bb74991fe87ae1c [0,1,1,0,0,0|2,0,0]=4 1178 B15R1.1097 COC(C)COC(CS)c1ccccc1 847075813cb0145a671c88ca1dd208cd [0,1,1,0,0,0|2,0,0]=4 1179 B15R1.1097 COC(C)CO[C@H](CF)c1ccccc1 874405d059caf7242e5bd63fc6d94682 [0,1,1,0,0,0|2,0,0]=4 1180 B15R1.1097 CO[C@@H](C)COC(CF)c1ccccc1 65fbc60328bf11ace85a67c2ec475a01 [0,1,1,0,0,0|2,0,0]=4 1181 B15R1.1097 CO[C@@H](C)COC(CS)c1ccccc1 47454da330d4eedf9cc94a54f25c86bd [0,1,1,0,0,0|2,0,0]=4 1182 B15R1.1097 CO[C@@H](C)CO[C@H](CF)c1ccccc1 176490a187a6824587ee027c37077616 [0,1,1,0,0,0|2,0,0]=4 1183 B15R1.1097 CO[C@H](C)COC(CF)c1ccccc1 40df132ce791c72092fd830cced6f0da [0,1,1,0,0,0|2,0,0]=4 1184 B15R1.1097 CO[C@H](C)COC(CS)c1ccccc1 a22177a4a20a89bcd5b87da84efce851 [0,1,1,0,0,0|2,0,0]=4 1185 B15R1.1097 CO[C@H](C)CO[C@H](CF)c1ccccc1 3c428f4203450d9489371cb6edbfe5be [0,1,1,0,0,0|2,0,0]=4 1186 B15R1.1215 CCC(c1ccccc1)N(C)CCOC bb9bfe8762b69c7d87bd2fd94facb08b [0,1,1,0,0,0|2,0,0]=4 1187 B15R1.1215 CCC(c1ccccc1)N(C)CCSC 0a3a8db6c9db17aabd3ff9caee3b9476 [0,1,1,0,0,0|2,0,0]=4 1188 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 597854a8dc3b5d0f68f2facae0599453 [0,1,1,0,0,0|2,0,0]=4 1189 B15R1.1257 C#CCC(C)OC(CC)c1ccccc1 db57788648d931703d53ed2395ff4b25 [0,1,1,0,0,0|1,0,1]=4 1190 B15R1.1257 C/C=C/C(C)OC(CC)c1ccccc1 9abf1a537828a736b56db8ee580637c0 [0,1,1,0,0,0|1,0,1]=4 1191 B15R1.1257 C=CCC(C)OC(CC)c1ccccc1 d29c9001f85b6a5101dd86f969a476ac [0,1,1,0,0,0|1,0,1]=4 1192 B15R1.1257 C=CC[C@@H](C)OC(CC)c1ccccc1 2f2c2e106f6d16a4c144a7bb2486bc06 [0,1,1,0,0,0|1,0,1]=4 1193 B15R1.1257 C=CC[C@H](C)OC(CC)c1ccccc1 bdd9e4308e66dc4bd9bfed98911798b2 [0,1,1,0,0,0|1,0,1]=4 1194 B15R1.1257 CC#CC(C)OC(CC)c1ccccc1 c6bf05d4445821ee4e0d75dbc5b0ae15 [0,1,1,0,0,0|1,0,1]=4 1195 B15R1.1257 CC=CC(C)OC(CC)c1ccccc1 3e33bf7943657d5eee39ad43440f2778 [0,1,1,0,0,0|1,0,1]=4 1196 B15R1.1257 CCC(NC(C)COC)c1ccccc1 e037f4da70ef9fc8a48cf16f44b36cc4 [0,1,1,0,0,0|2,0,0]=4 1197 B15R1.1257 CCC(N[C@@H](C)COC)c1ccccc1 8cf454af04a6554082faee010bcc28ff [0,1,1,0,0,0|2,0,0]=4 1198 B15R1.1257 CCC(N[C@H](C)COC)c1ccccc1 6600790d49a6a1141ea485775468945d [0,1,1,0,0,0|2,0,0]=4 1199 B15R1.1257 CCC(OC(C)CC#N)c1ccccc1 94b33e3a1023af98f44183d48306f0b3 [0,1,1,0,0,0|2,0,0]=4 1200 B15R1.1257 CCC(OC(C)COC)c1ccccc1 152aad00f552629293e99cb6d3631b85 [0,1,1,0,0,0|1,0,0]=3 1201 B15R1.1257 CCC(OC(C)CSC)c1ccccc1 ebd91216d1ace12c3ebf8d4ea765f592 [0,1,1,0,0,0|1,0,0]=3 1202 B15R1.1257 CCC(O[C@@H](C)CC#N)c1ccccc1 67d0b183221b8bf7f7d15d7704e80932 [0,1,1,0,0,0|2,0,0]=4 1203 B15R1.1257 CCC(O[C@@H](C)COC)c1ccccc1 44d36a16228a408f06efc06168572aac [0,1,1,0,0,0|1,0,0]=3 1204 B15R1.1257 CCC(O[C@H](C)CC#N)c1ccccc1 ce59c6f69b21d33b1e8d07004c31b70e [0,1,1,0,0,0|2,0,0]=4 1205 B15R1.1257 CCC(O[C@H](C)COC)c1ccccc1 2497526d8dbbd19b17ced2a23c0b1186 [0,1,1,0,0,0|1,0,0]=3 1206 B15R1.1257 CCCC(=S)OC(CC)c1ccccc1 e4f02910c1ae1935097d58b92b165aa9 [0,1,1,0,0,0|1,0,1]=4 1207 B15R1.1257 CCCC(C)NC(CC)c1ccccc1 70c53b2d8d61ca8d95a4f7087b5b3508 [0,1,1,0,0,0|2,0,0]=4 1208 B15R1.1257 CCCC(C)OC(CC)c1ccccc1 d699d8a4e8b7c7907650b4b2441a694c [0,1,1,0,0,0|1,0,0]=3 1209 B15R1.1257 CCC[C@@H](C)OC(CC)c1ccccc1 c739fb9a66d8841f3e2caa23f0c4f5ae [0,1,1,0,0,0|1,0,0]=3 1210 B15R1.1257 CCC[C@H](C)NC(CC)c1ccccc1 c42e5405e3d4ce878ba8d51585cab0de [0,1,1,0,0,0|2,0,0]=4 1211 B15R1.1257 CCC[C@H](C)OC(CC)c1ccccc1 dc6444ed361fa7b25a848368e37c96fb [0,1,1,0,0,0|1,0,0]=3 1212 B15R1.1257 CC[C@@H](NC(C)COC)c1ccccc1 c2ecb630feb85acf98e051b5ccd85114 [0,1,1,0,0,0|2,0,0]=4 1213 B15R1.1257 CC[C@@H](OC(C)CC#N)c1ccccc1 7ef59f696dd2c72d96c670dea1cffe1b [0,1,1,0,0,0|2,0,0]=4 1214 B15R1.1257 CC[C@@H](OC(C)COC)c1ccccc1 bd155a744274166078e0f2b553f6ba0d [0,1,1,0,0,0|1,0,0]=3 1215 B15R1.1257 CC[C@H](NC(C)COC)c1ccccc1 d5974b0ac0616003178ec9e17a70e89c [0,1,1,0,0,0|2,0,0]=4 1216 B15R1.1257 CC[C@H](OC(C)CC#N)c1ccccc1 0c3a1939601da10d082e68757a0dc05d [0,1,1,0,0,0|2,0,0]=4 1217 B15R1.1257 CC[C@H](OC(C)COC)c1ccccc1 f6591bece933bd3723c8a8a608db2e3c [0,1,1,0,0,0|1,0,0]=3 1218 B15R1.1257 COCC(C)OC(CF)c1ccccc1 87617a7df0067d2e18467ce4e70d7bbd [0,1,1,0,0,0|2,0,0]=4 1219 B15R1.1257 COCC(C)O[C@H](CF)c1ccccc1 16ff2559f3481c2f53cedefbe2f8f3c3 [0,1,1,0,0,0|2,0,0]=4 1220 B15R1.1412 C#CCC(OCCCC)c1ccccc1 101d5ccb9f9e2cfa79eeabcf7e73de11 [0,1,1,0,0,0|1,0,1]=4 1221 B15R1.1412 C#CCC(OCCOC)c1ccccc1 45fac75409c697bf54b8d9d985552979 [0,1,1,0,0,0|1,0,1]=4 1222 B15R1.1412 C#CCC(OCCSC)c1ccccc1 e8c73ea0738e7080cd78e2974b6827f6 [0,1,1,0,0,0|1,0,1]=4 1223 B15R1.1412 C#CCCOC(CCC)c1ccccc1 efb811655b73e30a9ee7975ec3422223 [0,1,1,0,0,0|1,0,1]=4 1224 B15R1.1412 C#CCCO[C@@H](CCC)c1ccccc1 88231e6a7da71c4726cdd26bb54650e0 [0,1,1,0,0,0|1,0,1]=4 1225 B15R1.1412 C#CCCO[C@H](CCC)c1ccccc1 74a5c849cf79c70ed2453b00bc1c131d [0,1,1,0,0,0|1,0,1]=4 1226 B15R1.1412 C/C=C/COC(CCC)c1ccccc1 86fa6285079109bd41315aa5725b5fc5 [0,1,1,0,0,0|1,0,1]=4 1227 B15R1.1412 C/C=C/CO[C@@H](CCC)c1ccccc1 f4bfed47831c7ed0f574005eb1aeb893 [0,1,1,0,0,0|1,0,1]=4 1228 B15R1.1412 C/C=C/CO[C@H](CCC)c1ccccc1 b1e65f09ae6bdda0b7697bc43929ba9a [0,1,1,0,0,0|1,0,1]=4 1229 B15R1.1412 C/C=C\COC(CCC)c1ccccc1 eb04e3b5e1c317f08bc6486fad5ad5b7 [0,1,1,0,0,0|1,0,1]=4 1230 B15R1.1412 C/C=C\CO[C@@H](CCC)c1ccccc1 c07fb42e1925d5232efd1c6317a4a9c8 [0,1,1,0,0,0|1,0,1]=4 1231 B15R1.1412 C/C=C\CO[C@H](CCC)c1ccccc1 ca7c2331ead52ffe6d1b0946330d5989 [0,1,1,0,0,0|1,0,1]=4 1232 B15R1.1412 C=CCC(OCCCC)c1ccccc1 012ecce0797995d16a062b24d478f2ed [0,1,1,0,0,0|1,0,1]=4 1233 B15R1.1412 C=CCC(OCCOC)c1ccccc1 a9354adf354807cd27797c050939497e [0,1,1,0,0,0|1,0,1]=4 1234 B15R1.1412 C=CCC(OCCSC)c1ccccc1 dc6f1baa0689076d25ca03d7d6b4a6c2 [0,1,1,0,0,0|1,0,1]=4 1235 B15R1.1412 C=CCCOC(CCC)c1ccccc1 6f34320eb6f18327ad5aa6c6bbc7656e [0,1,1,0,0,0|1,0,1]=4 1236 B15R1.1412 C=CCCO[C@@H](CCC)c1ccccc1 7130e12e83cc7e7008845893d2bf6232 [0,1,1,0,0,0|1,0,1]=4 1237 B15R1.1412 C=CCCO[C@H](CCC)c1ccccc1 1db8d55a62d78e3a649b2e3670a47e10 [0,1,1,0,0,0|1,0,1]=4 1238 B15R1.1412 CC#CCOC(CCC)c1ccccc1 f427d13b40c63153c7be7de564da351d [0,1,1,0,0,0|1,0,1]=4 1239 B15R1.1412 CC#CCO[C@@H](CCC)c1ccccc1 0949e27dd1a2545caec211fb35eb023d [0,1,1,0,0,0|1,0,1]=4 1240 B15R1.1412 CC#CCO[C@H](CCC)c1ccccc1 a185fec0e62bae00ec8031d71bc05fb6 [0,1,1,0,0,0|1,0,1]=4 1241 B15R1.1412 CCCC(NCCOC)c1ccccc1 2d6f04b0db671cd3a7c221b3fa4f7efc [0,1,1,0,0,0|2,0,0]=4 1242 B15R1.1412 CCCC(NCCSC)c1ccccc1 c93310664fbb9abbc04b0674fc12689b [0,1,1,0,0,0|2,0,0]=4 1243 B15R1.1412 CCCC(OCCC#N)c1ccccc1 f58298ffe7d472d7d42f6289b1f052cf [0,1,1,0,0,0|2,0,0]=4 1244 B15R1.1412 CCCC(OCCC=O)c1ccccc1 7ebdfb276f502164fb13e0998c42c4c7 [0,1,1,0,0,0|2,0,0]=4 1245 B15R1.1412 CCCC(OCCCF)c1ccccc1 19eb82f41bcbc1b7f9a4e14c96f7390d [0,1,1,0,0,0|2,0,0]=4 1246 B15R1.1412 CCCC(OCCCS)c1ccccc1 bb61c90953f69729dd3cfc23524204de [0,1,1,0,0,0|2,0,0]=4 1247 B15R1.1412 CCCC(OCCOC)c1ccccc1 2b0b553685489838ef037ee6d0af3b89 [0,1,1,0,0,0|1,0,0]=3 1248 B15R1.1412 CCCC(OCCSC)c1ccccc1 cae03b9ad0cbe1bfa0a8caff079d215b [0,1,1,0,0,0|1,0,0]=3 1249 B15R1.1412 CCCC(OCOCC)c1ccccc1 b855ad5f6e850b0dc046a1784eaa7d5d [0,1,1,0,0,0|2,0,0]=4 1250 B15R1.1412 CCCCCC(NCC)c1ccccc1 d2b53bc0b1783c09a3f1d3fa6226efde [0,1,1,0,0,0|2,0,0]=4 1251 B15R1.1412 CCCCCC(OCC)c1ccccc1 7e8f1d58c26e942b01b8418492eca957 [0,1,1,0,0,0|2,0,0]=4 1252 B15R1.1412 CCCCNC(CCC)c1ccccc1 29fb82c26e0c6f94fa44b5f092f65dec [0,1,1,0,0,0|2,0,0]=4 1253 B15R1.1412 CCCCNC(CCO)c1ccccc1 38217a597878fee400d01fad3f158bf1 [0,1,1,0,0,0|2,0,0]=4 1254 B15R1.1412 CCCCNC(COC)c1ccccc1 82c0eb30ccf135da49d9687644e822e3 [0,1,1,0,0,0|2,0,0]=4 1255 B15R1.1412 CCCCN[C@@H](CCC)c1ccccc1 1f432321c4be89b23486d637334aabfb [0,1,1,0,0,0|2,0,0]=4 1256 B15R1.1412 CCCCN[C@@H](CCO)c1ccccc1 5f6317a0374aab6597a81be402d5a107 [0,1,1,0,0,0|2,0,0]=4 1257 B15R1.1412 CCCCN[C@@H](COC)c1ccccc1 07b0047a14f77a1f1436c2c611c1ba80 [0,1,1,0,0,0|2,0,0]=4 1258 B15R1.1412 CCCCN[C@H](CCC)c1ccccc1 a0d1f26725b8cbbb74832a8ce2a0b8cb [0,1,1,0,0,0|2,0,0]=4 1259 B15R1.1412 CCCCN[C@H](CCO)c1ccccc1 13b689c87a22dbd739c3c000d5d40756 [0,1,1,0,0,0|2,0,0]=4 1260 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 b7cf13b92789c78ca860567e79d0c9e3 [0,1,1,0,0,0|2,0,0]=4 1261 B15R1.1412 CCCCOC(CC#N)c1ccccc1 5d7ce7113e40f9b4e60ba884a2dfc136 [0,1,1,0,0,0|1,0,1]=4 1262 B15R1.1412 CCCCOC(CCC)c1ccccc1 ce5d7dfd2fa46656604e42f9a49271be [0,1,1,0,0,0|1,0,0]=3 1263 B15R1.1412 CCCCO[C@@H](CCC)c1ccccc1 da0761c660a4326f3a57c481ffea7f34 [0,1,1,0,0,0|1,0,0]=3 1264 B15R1.1412 CCCCO[C@H](CCC)c1ccccc1 7a921ecdf9382e6ca17f1ab61708f6a2 [0,1,1,0,0,0|1,0,0]=3 1265 B15R1.1412 CCC[C@@H](NCCOC)c1ccccc1 aa5017a2f28cb52f381ed33495ba3ae7 [0,1,1,0,0,0|2,0,0]=4 1266 B15R1.1412 CCC[C@@H](NCCSC)c1ccccc1 6f788b78f793370c73a93b9b1b2dcdae [0,1,1,0,0,0|2,0,0]=4 1267 B15R1.1412 CCC[C@@H](OCCC#N)c1ccccc1 f7e4971326d8c788fbf05cfdf8b84d59 [0,1,1,0,0,0|2,0,0]=4 1268 B15R1.1412 CCC[C@@H](OCCC=O)c1ccccc1 dd6dfc74d5d5b5a2a46f3f3ea4358017 [0,1,1,0,0,0|2,0,0]=4 1269 B15R1.1412 CCC[C@@H](OCCCF)c1ccccc1 8fc6d51b7274165f84c171beba4009c7 [0,1,1,0,0,0|2,0,0]=4 1270 B15R1.1412 CCC[C@@H](OCCCS)c1ccccc1 69ad4a2ba4a0b862cb73756815a8eb75 [0,1,1,0,0,0|2,0,0]=4 1271 B15R1.1412 CCC[C@@H](OCCOC)c1ccccc1 afc598055e5f521ab4b8e0fe4ba52a7c [0,1,1,0,0,0|1,0,0]=3 1272 B15R1.1412 CCC[C@@H](OCCSC)c1ccccc1 daeabc34d6b695151a822855e47d18b4 [0,1,1,0,0,0|1,0,0]=3 1273 B15R1.1412 CCC[C@@H](OCOCC)c1ccccc1 8d6c01e5d8217a093bfb4f3473891c22 [0,1,1,0,0,0|2,0,0]=4 1274 B15R1.1412 CCC[C@H](NCCOC)c1ccccc1 eb9133aed307d1c502a2a79ab99a3609 [0,1,1,0,0,0|2,0,0]=4 1275 B15R1.1412 CCC[C@H](NCCSC)c1ccccc1 64003234a913a9abae919de7ba1538bb [0,1,1,0,0,0|2,0,0]=4 1276 B15R1.1412 CCC[C@H](OCCC#N)c1ccccc1 512c81ed023bb947848a2c6065bf313f [0,1,1,0,0,0|2,0,0]=4 1277 B15R1.1412 CCC[C@H](OCCC=O)c1ccccc1 aa4c05f955d96741c9b8501966ec4067 [0,1,1,0,0,0|2,0,0]=4 1278 B15R1.1412 CCC[C@H](OCCCF)c1ccccc1 8ea242fcf472442995b710491aedb9cc [0,1,1,0,0,0|2,0,0]=4 1279 B15R1.1412 CCC[C@H](OCCCS)c1ccccc1 81caf324e657f2c76edb0e9f4db44267 [0,1,1,0,0,0|2,0,0]=4 1280 B15R1.1412 CCC[C@H](OCCOC)c1ccccc1 380783e3b2803c708651c1a8782fd062 [0,1,1,0,0,0|1,0,0]=3 1281 B15R1.1412 CCC[C@H](OCCSC)c1ccccc1 82ae12161f6cde79e2ac589ad4007c2a [0,1,1,0,0,0|1,0,0]=3 1282 B15R1.1412 CCC[C@H](OCOCC)c1ccccc1 a8ce92131b56a119d74be21739988f4b [0,1,1,0,0,0|2,0,0]=4 1283 B15R1.1412 COCC(NCCSC)c1ccccc1 107fadfd09470f819702905515f57283 [0,1,1,0,0,0|2,0,0]=4 1284 B15R1.1412 COCCNC(CCO)c1ccccc1 093fcdc3baf4b5617deab1590b1cc808 [0,1,1,0,0,0|2,0,0]=4 1285 B15R1.1412 COCCNC(COC)c1ccccc1 e766f53b7527fb0cd31ecf84170bf4d5 [0,1,1,0,0,0|2,0,0]=4 1286 B15R1.1412 COCCN[C@@H](CCO)c1ccccc1 8eff657ddda0cf98d883e7456f347907 [0,1,1,0,0,0|2,0,0]=4 1287 B15R1.1412 COCCN[C@@H](COC)c1ccccc1 d60c0b00a99db269658adb06ff442b38 [0,1,1,0,0,0|2,0,0]=4 1288 B15R1.1412 COCCN[C@H](CCO)c1ccccc1 f54dee6301bd576bba9110a252f2cffc [0,1,1,0,0,0|2,0,0]=4 1289 B15R1.1412 COCCN[C@H](COC)c1ccccc1 61fcba12f40c4eb2524fd60539a27adb [0,1,1,0,0,0|2,0,0]=4 1290 B15R1.1412 COCCOC(CC#N)c1ccccc1 463fffc75336a11972441ee350023377 [0,1,1,0,0,0|1,0,1]=4 1291 B15R1.1412 COC[C@@H](NCCSC)c1ccccc1 f6c2e9b5c76182d2cc49ea092f34edda [0,1,1,0,0,0|2,0,0]=4 1292 B15R1.1412 COC[C@H](NCCSC)c1ccccc1 129afef02cdc66807c9e763ad2f21e8e [0,1,1,0,0,0|2,0,0]=4 1293 B15R1.1412 CSCCNC(CCO)c1ccccc1 044d840372e345246e282fbc01f00781 [0,1,1,0,0,0|2,0,0]=4 1294 B15R1.1412 CSCCN[C@@H](CCO)c1ccccc1 3404c855386e551d9ea88138d5e9a922 [0,1,1,0,0,0|2,0,0]=4 1295 B15R1.1412 CSCCN[C@H](CCO)c1ccccc1 101acbd300e60457a5bc285ab522d966 [0,1,1,0,0,0|2,0,0]=4 1296 B15R1.1412 CSCCOC(CC#N)c1ccccc1 dcae8d4b39d8bd22a1c871a08d07e447 [0,1,1,0,0,0|1,0,1]=4 1297 B15R1.3402 C#CCCOC(CC)c1ccccc1Cl 65fef74fad48293caa00810b7e8b19f3 [0,1,1,0,0,0|1,0,1]=4 1298 B15R1.3402 C#CCCOC(CC)c1ccccc1F ff458d695499a2ab154acfcd7c6e3ff4 [0,1,1,0,0,0|1,0,1]=4 1299 B15R1.3402 C#CCCOC(CC)c1ccccc1I a50b08c509d4aefd10f3d7b46f855364 [0,1,1,0,0,0|1,0,1]=4 1300 B15R1.3402 C/C=C/COC(CC)c1ccccc1F 53de75d98f084cdd6776809517b345e1 [0,1,1,0,0,0|1,0,1]=4 1301 B15R1.3402 C/C=C\COC(CC)c1ccccc1F 5949e40103ddb06a371e0061dd24c86e [0,1,1,0,0,0|1,0,1]=4 1302 B15R1.3402 C=CCCOC(CC)c1ccccc1Cl ff4b8be1fd98fd180d5968206dfbd784 [0,1,1,0,0,0|1,0,1]=4 1303 B15R1.3402 C=CCCOC(CC)c1ccccc1F d04310bbacd326db46967c5659d5168a [0,1,1,0,0,0|1,0,1]=4 1304 B15R1.3402 C=CCCOC(CC)c1ccccc1I 88330b3ac43dfffc68db62fb6947edca [0,1,1,0,0,0|1,0,1]=4 1305 B15R1.3402 CC#CCOC(CC)c1ccccc1F 496c80aa90795cd0aceb6d7c1ede52de [0,1,1,0,0,0|1,0,1]=4 1306 B15R1.3402 CC=CCOC(CC)c1ccccc1F f1f363cc957e1c48d0614cb9d362339e [0,1,1,0,0,0|1,0,1]=4 1307 B15R1.3402 CCC(NCCOC)c1ccccc1Br 7e8a61f0b8854dd507ae73bb26aff8c1 [0,1,1,0,0,0|2,0,0]=4 1308 B15R1.3402 CCC(NCCOC)c1ccccc1C 1e39d9eb5e14c501dc13440e42430cd4 [0,1,1,0,0,0|2,0,0]=4 1309 B15R1.3402 CCC(NCCOC)c1ccccc1Cl 97c1aa8f313eea306afee61d2287df9a [0,1,1,0,0,0|2,0,0]=4 1310 B15R1.3402 CCC(NCCOC)c1ccccc1F d2ce88f7c1e3dd89695177509e312d62 [0,1,1,0,0,0|2,0,0]=4 1311 B15R1.3402 CCC(NCCSC)c1ccccc1Br de0e77f011ec029f4762fdca1b41766b [0,1,1,0,0,0|2,0,0]=4 1312 B15R1.3402 CCC(NCCSC)c1ccccc1C b24984e82478af5be26d310748326d1e [0,1,1,0,0,0|2,0,0]=4 1313 B15R1.3402 CCC(NCCSC)c1ccccc1Cl fa8d89ce6f965ac6b599985f7ff2a4de [0,1,1,0,0,0|2,0,0]=4 1314 B15R1.3402 CCC(NCCSC)c1ccccc1F afc635087fc67b61907ce90d93256d02 [0,1,1,0,0,0|2,0,0]=4 1315 B15R1.3402 CCC(OCCC#N)c1ccccc1Cl 93cf05e08a2b770b1a2e112ceacadf08 [0,1,1,0,0,0|2,0,0]=4 1316 B15R1.3402 CCC(OCCC#N)c1ccccc1F 700901f7c76ce2b66106edae22c5f8c4 [0,1,1,0,0,0|2,0,0]=4 1317 B15R1.3402 CCC(OCCC#N)c1ccccc1I a69557d7f929328aea117b060b4ad91b [0,1,1,0,0,0|2,0,0]=4 1318 B15R1.3402 CCC(OCCC=O)c1ccccc1Cl 9a17e8d058950fba14b8e1a3a5210f70 [0,1,1,0,0,0|2,0,0]=4 1319 B15R1.3402 CCC(OCCC=O)c1ccccc1F f008c8a6dc437929c6cd0297c1a4ab9a [0,1,1,0,0,0|2,0,0]=4 1320 B15R1.3402 CCC(OCCC=O)c1ccccc1I b9f4b67c1c35719149ebe6f254a4bd33 [0,1,1,0,0,0|2,0,0]=4 1321 B15R1.3402 CCC(OCCCF)c1ccccc1Br 8c3a914c3f894e220d7af32211d1659b [0,1,1,0,0,0|2,0,0]=4 1322 B15R1.3402 CCC(OCCCF)c1ccccc1Cl 9dabbc6b7b7c25d42d80c2f9ed377edb [0,1,1,0,0,0|2,0,0]=4 1323 B15R1.3402 CCC(OCCCF)c1ccccc1F e740462536e771ed8bfa393d8014bcc3 [0,1,1,0,0,0|2,0,0]=4 1324 B15R1.3402 CCC(OCCCF)c1ccccc1I 45b274106a468a6c3eab5cbd9811841c [0,1,1,0,0,0|2,0,0]=4 1325 B15R1.3402 CCC(OCCCS)c1ccccc1Cl db52ff8e461d9242454a8f6d15383cc7 [0,1,1,0,0,0|2,0,0]=4 1326 B15R1.3402 CCC(OCCCS)c1ccccc1F 5d08b969bd061831d381db778dceb84e [0,1,1,0,0,0|2,0,0]=4 1327 B15R1.3402 CCC(OCCOC)c1ccccc1Br 84b4983b7eb4b8622cead466c0715117 [0,1,1,0,0,0|1,0,0]=3 1328 B15R1.3402 CCC(OCCOC)c1ccccc1Cl 5a1b504b0b793c4a3bf6cd381a766c47 [0,1,1,0,0,0|1,0,0]=3 1329 B15R1.3402 CCC(OCCOC)c1ccccc1F ae769cdfd7d9c896a5f77464361709ea [0,1,1,0,0,0|1,0,0]=3 1330 B15R1.3402 CCC(OCCOC)c1ccccc1I cab398cecc2d8351b23900304950be69 [0,1,1,0,0,0|1,0,0]=3 1331 B15R1.3402 CCC(OCCOC)c1ccncc1Cl be84a0efbefd8450a94af49c6b96303c [0,1,1,0,0,0|2,0,0]=4 1332 B15R1.3402 CCC(OCCOC)c1ccncc1F 82b76be993eb753d1cada03f60ce9338 [0,1,1,0,0,0|2,0,0]=4 1333 B15R1.3402 CCC(OCCSC)c1ccccc1Cl 24e197545bcec56f0ff9c176d4089088 [0,1,1,0,0,0|1,0,0]=3 1334 B15R1.3402 CCC(OCCSC)c1ccccc1F c9b1c7919567cca700b0d2e9a25c999f [0,1,1,0,0,0|1,0,0]=3 1335 B15R1.3402 CCC(OCCSC)c1ccccc1I 1db5e994cbbd8ed03b006588f45608c7 [0,1,1,0,0,0|1,0,0]=3 1336 B15R1.3402 CCC(OCCSC)c1ccncc1Cl 7ce63e705bedbac37ac951d0812f5a42 [0,1,1,0,0,0|2,0,0]=4 1337 B15R1.3402 CCC(OCCSC)c1ccncc1F 9b4f811b46c0bcc640766643e9fc5617 [0,1,1,0,0,0|2,0,0]=4 1338 B15R1.3402 CCCCNC(CC)c1ccccc1C 7f949b2195ab07e9d42ed7dd2606540d [0,1,1,0,0,0|2,0,0]=4 1339 B15R1.3402 CCCCNC(CC)c1ccccc1Cl e75c5386668f92881e72389fa91fea52 [0,1,1,0,0,0|2,0,0]=4 1340 B15R1.3402 CCCCNC(CC)c1ccccc1F 2a19f9597e8b4f8bc3ce8704835c1ee9 [0,1,1,0,0,0|2,0,0]=4 1341 B15R1.3402 CCCCN[C@@H](CC)c1ccccc1F cc59238b40e67d0c95d3626588227109 [0,1,1,0,0,0|2,0,0]=4 1342 B15R1.3402 CCCCOC(CC)c1ccccc1Cl 8af774de64f79fbdc77a67f0981e5c0d [0,1,1,0,0,0|1,0,0]=3 1343 B15R1.3402 CCCCOC(CC)c1ccccc1F 02f29f50a5daf06b4cd6ecebdc96ecbe [0,1,1,0,0,0|1,0,0]=3 1344 B15R1.3402 CCCCOC(CC)c1ccccc1I 8437022770474f5730aa38f082b3f226 [0,1,1,0,0,0|1,0,0]=3 1345 B15R1.3402 CCCCOC(CC)c1ccncc1Cl 0ae540512f2ec148fd135bf2fa6759c6 [0,1,1,0,0,0|2,0,0]=4 1346 B15R1.3402 CCCCOC(CC)c1ccncc1F a264106b8623cb3812606c09d17b0775 [0,1,1,0,0,0|2,0,0]=4 1347 B15R1.3402 CC[C@H](NCCOC)c1ccccc1F e092084199ce493d1bfa3bd15ac3b21d [0,1,1,0,0,0|2,0,0]=4 1348 B15R1.3402 CC[C@H](NCCSC)c1ccccc1F 4b7a06f1cb30620a5d7a6a41aac31814 [0,1,1,0,0,0|2,0,0]=4 1349 B15R1.3473 C#CCCOC(C)(CC)c1ccccc1 63be517cf73136e870d76a241007f18a [0,1,1,0,0,0|1,0,1]=4 1350 B15R1.3473 C#CCCO[C@@](C)(CC)c1ccccc1 711c2cf83390adc7a18ca36e2fa1922c [0,1,1,0,0,0|1,0,1]=4 1351 B15R1.3473 C#CCCO[C@](C)(CC)c1ccccc1 157b58f9e5ea11e012a6586f8be0b65d [0,1,1,0,0,0|1,0,1]=4 1352 B15R1.3473 C/C=C/COC(C)(CC)c1ccccc1 9186ce396e62b611ec62627bc754993a [0,1,1,0,0,0|1,0,1]=4 1353 B15R1.3473 C/C=C/CO[C@@](C)(CC)c1ccccc1 b6f1a2c3bfab1f5b20aff1f8bf4f5173 [0,1,1,0,0,0|1,0,1]=4 1354 B15R1.3473 C/C=C/CO[C@](C)(CC)c1ccccc1 50f71aad998fac9bd468eb85d9f88f53 [0,1,1,0,0,0|1,0,1]=4 1355 B15R1.3473 C/C=C\COC(C)(CC)c1ccccc1 444aadf1bdea79237839ee88fcd89003 [0,1,1,0,0,0|1,0,1]=4 1356 B15R1.3473 C/C=C\CO[C@@](C)(CC)c1ccccc1 91a42ac58d9a1b4d42e29ad2512daa8f [0,1,1,0,0,0|1,0,1]=4 1357 B15R1.3473 C/C=C\CO[C@](C)(CC)c1ccccc1 3347b6ba50688b05ef1404422d2d05bc [0,1,1,0,0,0|1,0,1]=4 1358 B15R1.3473 C=CCCOC(C)(CC)c1ccccc1 65738b04497adcae388d5da8687260ab [0,1,1,0,0,0|1,0,1]=4 1359 B15R1.3473 C=CCCO[C@@](C)(CC)c1ccccc1 b575efc5ccaaa91972a7b71df9995277 [0,1,1,0,0,0|1,0,1]=4 1360 B15R1.3473 C=CCCO[C@](C)(CC)c1ccccc1 03e9cad3f5825498334151cd8eab1902 [0,1,1,0,0,0|1,0,1]=4 1361 B15R1.3473 CCC(C)(OCCC#N)c1ccccc1 99fbee7d4858e9035947473cd729dc48 [0,1,1,0,0,0|2,0,0]=4 1362 B15R1.3473 CCC(C)(OCCC=O)c1ccccc1 5a6033999010de62d673bdeea57e4746 [0,1,1,0,0,0|2,0,0]=4 1363 B15R1.3473 CCC(C)(OCCCF)c1ccccc1 2e4d4e147148d204a69b2afdb0b46b5c [0,1,1,0,0,0|2,0,0]=4 1364 B15R1.3473 CCC(C)(OCCCS)c1ccccc1 a4eaedc158e1c2cb52bd368bf4271380 [0,1,1,0,0,0|2,0,0]=4 1365 B15R1.3473 CCC(C)(OCCOC)c1ccccc1 3c5b3458a95508d0fa677e40652cc2c8 [0,1,1,0,0,0|1,0,0]=3 1366 B15R1.3473 CCC(C)(OCCSC)c1ccccc1 967a7800886b7fe79ebf310e26b35396 [0,1,1,0,0,0|1,0,0]=3 1367 B15R1.3473 CCCCOC(C)(CC)c1ccccc1 77e815a3c337a868a0f3c82f1a052c4a [0,1,1,0,0,0|1,0,0]=3 1368 B15R1.3473 CCCCO[C@@](C)(CC)c1ccccc1 b2bc088dc53f022be8e387de920a028b [0,1,1,0,0,0|1,0,0]=3 1369 B15R1.3473 CCCCO[C@](C)(CC)c1ccccc1 614983e2828d8c4ce196dbb6f43feb95 [0,1,1,0,0,0|1,0,0]=3 1370 B15R1.3473 CCOCOC(C)(CC)c1ccccc1 cac0b36673b240f20ef42caeea676305 [0,1,1,0,0,0|2,0,0]=4 1371 B15R1.3473 CCOCO[C@@](C)(CC)c1ccccc1 25202d576b2b0436f573dbc3a3036d95 [0,1,1,0,0,0|2,0,0]=4 1372 B15R1.3473 CCOCO[C@](C)(CC)c1ccccc1 be32a35322df33a51e8a08c6ca4d16e1 [0,1,1,0,0,0|2,0,0]=4 1373 B15R1.3473 CC[C@@](C)(OCCC#N)c1ccccc1 06a41c751997df7bcffc9129aff838dc [0,1,1,0,0,0|2,0,0]=4 1374 B15R1.3473 CC[C@@](C)(OCCC=O)c1ccccc1 86a36b0f41cd823cc89804b9bb1072e3 [0,1,1,0,0,0|2,0,0]=4 1375 B15R1.3473 CC[C@@](C)(OCCCF)c1ccccc1 78a1bd1110aef630417e6bbb48b36c92 [0,1,1,0,0,0|2,0,0]=4 1376 B15R1.3473 CC[C@@](C)(OCCCS)c1ccccc1 bce1ec83f94acd7cf336dbfbd6ea675b [0,1,1,0,0,0|2,0,0]=4 1377 B15R1.3473 CC[C@@](C)(OCCOC)c1ccccc1 9d5abf504c4d843ba8b0bb9a35bc9d2e [0,1,1,0,0,0|1,0,0]=3 1378 B15R1.3473 CC[C@@](C)(OCCSC)c1ccccc1 cf1452085dc95a9380ae856e5f13214e [0,1,1,0,0,0|1,0,0]=3 1379 B15R1.3473 CC[C@](C)(OCCC#N)c1ccccc1 320ac532c44931b9892bdc03d09e6897 [0,1,1,0,0,0|2,0,0]=4 1380 B15R1.3473 CC[C@](C)(OCCC=O)c1ccccc1 a94d737560b5a58452b4dacf054ee153 [0,1,1,0,0,0|2,0,0]=4 1381 B15R1.3473 CC[C@](C)(OCCCF)c1ccccc1 29914201a69eddb858bacc692573eee4 [0,1,1,0,0,0|2,0,0]=4 1382 B15R1.3473 CC[C@](C)(OCCCS)c1ccccc1 edc5eebd958acffcdd3b3157f47446b3 [0,1,1,0,0,0|2,0,0]=4 1383 B15R1.3473 CC[C@](C)(OCCOC)c1ccccc1 f2bf2fa6b7e553e46d4bf920fd14492e [0,1,1,0,0,0|1,0,0]=3 1384 B15R1.3473 CC[C@](C)(OCCSC)c1ccccc1 ba9ce222eceb9e265f3690c1f8424899 [0,1,1,0,0,0|1,0,0]=3 1385 B15R1.3474 CCCCNC(c1ccccc1)C(C)C b1972533c3beb8718cffd3466f539b2a [0,1,1,0,0,0|2,0,0]=4 1386 B15R1.3474 CCCCNC(c1ccccc1)C(C)O 56515b61c6545e0bdec1ef71d90f2139 [0,1,1,0,0,0|2,0,0]=4 1387 B15R1.3474 CCCCN[C@@H](c1ccccc1)C(C)C 8b30c356f8921c581104122317a38419 [0,1,1,0,0,0|2,0,0]=4 1388 B15R1.3474 CCCCN[C@@H](c1ccccc1)[C@@H](C)O 880c5f515a75a6f23a40d4d8c4682c4e [0,1,1,0,0,0|2,0,0]=4 1389 B15R1.3474 CCCCN[C@H](c1ccccc1)C(C)C dce6d8ce4c45f190ae1ed57a34c1fa65 [0,1,1,0,0,0|2,0,0]=4 1390 B15R1.3474 CCCCN[C@H](c1ccccc1)[C@H](C)O 1ded4f7cc2522cde24658ead94055cdb [0,1,1,0,0,0|2,0,0]=4 1391 B15R1.3474 CCCCOC(C(=O)C)c1ccccc1 9b4e695af9576de9f7d879802bde3948 [0,1,1,0,0,0|1,0,1]=4 1392 B15R1.3474 CCCCOC(c1ccccc1)C(F)F ccbafacc16542b48fc91616799c7c6c5 [0,1,1,0,0,0|2,0,0]=4 1393 B15R1.3474 CCCCOC(c1cccnc1)C(C)C 0ef41fffc64f1f4e099f44ef48f31407 [0,1,1,0,0,0|2,0,0]=4 1394 B15R1.3474 COCCNC(c1ccccc1)C(C)C c4b32501f0f0710b5c2f694ed01ca856 [0,1,1,0,0,0|2,0,0]=4 1395 B15R1.3474 COCCNC(c1ccccc1)C(C)O b69de1b87086a7d6ed1230144a217832 [0,1,1,0,0,0|2,0,0]=4 1396 B15R1.3474 COCCN[C@@H](c1ccccc1)C(C)C 081bdd03421311d522de3b2a1568770d [0,1,1,0,0,0|2,0,0]=4 1397 B15R1.3474 COCCN[C@@H](c1ccccc1)[C@@H](C)O 5f89024d133290131b5e43dcfa8aa7ba [0,1,1,0,0,0|2,0,0]=4 1398 B15R1.3474 COCCN[C@H](c1ccccc1)C(C)C a92620deedb410ef180944223542d795 [0,1,1,0,0,0|2,0,0]=4 1399 B15R1.3474 COCCN[C@H](c1ccccc1)[C@H](C)O ec37b04390a9bbf9bc48a909a5cfcae1 [0,1,1,0,0,0|2,0,0]=4 1400 B15R1.3474 COCCOC(C(=O)C)c1ccccc1 cdaec75b2f44f048081c3f10fdf58031 [0,1,1,0,0,0|1,0,1]=4 1401 B15R1.3474 COCCOC(c1ccccc1)C(F)F 2eaab6df6e9aadb760f6df3948154ac5 [0,1,1,0,0,0|2,0,0]=4 1402 B15R1.3474 COCCOC(c1cccnc1)C(C)C 08b30151c00e7f316796797803be9845 [0,1,1,0,0,0|2,0,0]=4 1403 B15R1.3474 CSCCNC(c1ccccc1)C(C)C 38d255f08985aed341ef8e9d4989b407 [0,1,1,0,0,0|2,0,0]=4 1404 B15R1.3474 CSCCNC(c1ccccc1)C(C)O 82fdd15bc792a12807e469b194c7d886 [0,1,1,0,0,0|2,0,0]=4 1405 B15R1.3474 CSCCN[C@@H](c1ccccc1)C(C)C 12c5a7bb9ddbaa267d1069673b8b0a75 [0,1,1,0,0,0|2,0,0]=4 1406 B15R1.3474 CSCCN[C@@H](c1ccccc1)[C@@H](C)O f298567e4c2cb23b016736f8714bef25 [0,1,1,0,0,0|2,0,0]=4 1407 B15R1.3474 CSCCN[C@H](c1ccccc1)C(C)C 8094f3dca958eab5bf7ae4ee2cf6eed3 [0,1,1,0,0,0|2,0,0]=4 1408 B15R1.3474 CSCCN[C@H](c1ccccc1)[C@H](C)O 9612c9c4b5b3fffeb7b0bfc1eb2c087a [0,1,1,0,0,0|2,0,0]=4 1409 B15R1.3474 CSCCOC(C(=O)C)c1ccccc1 7ee16669e4a79d5ab29b63a98dc42225 [0,1,1,0,0,0|1,0,1]=4 1410 B15R1.3474 CSCCOC(c1ccccc1)C(F)F 93cc701e003fbea55e489f50259a421a [0,1,1,0,0,0|2,0,0]=4 1411 B15R1.3474 CSCCOC(c1cccnc1)C(C)C e70e11443cb889f30aeb435927e9fa1c [0,1,1,0,0,0|2,0,0]=4 1412 B15R1.5331 C=C(C)CCNC(CC)c1ccccc1 11766c5c8ce2dd9f7111ee8c69c519b1 [0,1,1,0,0,0|2,0,0]=4 1413 B15R1.5331 C=C(C)CCN[C@@H](CC)c1ccccc1 9f36c3ca7e06853189b74ccc1ebe27db [0,1,1,0,0,0|2,0,0]=4 1414 B15R1.5331 C=C(C)CCN[C@H](CC)c1ccccc1 88716003adbbbd41e578c5b2b53f2d11 [0,1,1,0,0,0|2,0,0]=4 1415 B15R1.5331 C=C(C)CCOC(CC)c1ccccc1 f97808f8f1ae733a88bb824f784fe407 [0,1,1,0,0,0|1,0,0]=3 1416 B15R1.5331 C=C(C)CCOC(CF)c1ccccc1 bdc0ada1c28333797f3d951a835263cc [0,1,1,0,0,0|2,0,0]=4 1417 B15R1.5331 C=C(C)CCO[C@H](CF)c1ccccc1 a9fd3df841b151f4a76ec1f54abaee4b [0,1,1,0,0,0|2,0,0]=4 1418 B15R1.5331 C=CC(OCCN(C)C)c1ccccc1 f088fc6b128a07136f00c4cd7f87d89e [0,1,1,0,0,0|0,0,2]=4 1419 B15R1.5331 CC(=O)CCOC(CF)c1ccccc1 2ba16857dec90e5fe5278b41a089da80 [0,1,1,0,0,0|2,0,0]=4 1420 B15R1.5331 CC(=O)CCO[C@H](CF)c1ccccc1 fc65203026fc7f445811a6bdb673059d [0,1,1,0,0,0|2,0,0]=4 1421 B15R1.5331 CC(C)CCOC(CF)c1ccccc1 c1ad147e8d3545c664b057414dd4734e [0,1,1,0,0,0|2,0,0]=4 1422 B15R1.5331 CC(C)CCO[C@H](CF)c1ccccc1 ad6b1a89f8043267f37b193caf379de9 [0,1,1,0,0,0|2,0,0]=4 1423 B15R1.5331 CCC(COCN(C)C)c1ccccc1 f2ad39aaf04b237461a7055002befb4c [0,1,1,0,0,0|2,0,0]=4 1424 B15R1.5331 CCC(NCCC(=O)C)c1ccccc1 ca4b548a58b8c028344fc8aaecc03e9b [0,1,1,0,0,0|2,0,0]=4 1425 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 87e912e1a735347b334adb7888b78ae1 [0,1,1,0,0,0|2,0,0]=4 1426 B15R1.5331 CCC(NCCC(C)O)c1ccccc1 64b123f1a84a20a9841a43c8de9a9198 [0,1,1,0,0,0|2,0,0]=4 1427 B15R1.5331 CCC(NCCN(C)C)c1ccccc1 bf39ef0850094c98c8b2af5070532018 [0,1,1,0,0,0|1,0,0]=3 1428 B15R1.5331 CCC(NCCN(C)C)c1ccccn1 f8457ca5808b0828532966fb0946bb26 [0,1,1,0,0,0|2,0,0]=4 1429 B15R1.5331 CCC(NCCN(C)C)c1cccnc1 d3b7144173a2420de0c20f0d1c8af8b8 [0,1,1,0,0,0|2,0,0]=4 1430 B15R1.5331 CCC(NCCN(C)C)c1ccncc1 70985d5b4f1a4d61e75ac6fc56c7503a [0,1,1,0,0,0|2,0,0]=4 1431 B15R1.5331 CCC(NCCS(=O)C)c1ccccc1 3163792ceae73ea7934438f4301a6194 [0,1,1,0,0,0|2,0,0]=4 1432 B15R1.5331 CCC(NCC[C@@H](C)O)c1ccccc1 eb0596d4ffec5b6429743efb05dec86a [0,1,1,0,0,0|2,0,0]=4 1433 B15R1.5331 CCC(NCC[C@H](C)O)c1ccccc1 1c66c5b95fcb54a2ee6596ca70af8d3f [0,1,1,0,0,0|2,0,0]=4 1434 B15R1.5331 CCC(OC/C=C(/C)\Cl)c1ccccc1 f829fab3bd0fcf719eb2c28df73170fe [0,1,1,0,0,0|1,0,1]=4 1435 B15R1.5331 CCC(OC/C=C(/C)\I)c1ccccc1 cf3b5abd864bddbd10a5dfdca0513ff3 [0,1,1,0,0,0|1,0,1]=4 1436 B15R1.5331 CCC(OC/C=C(\C)/Cl)c1ccccc1 a3e20bf5a8ba1ca3e8770761f8b38389 [0,1,1,0,0,0|1,0,1]=4 1437 B15R1.5331 CCC(OCC=C(C)C)c1ccccc1 71d89cee85ed19da06bf340ea74aefa1 [0,1,1,0,0,0|1,0,1]=4 1438 B15R1.5331 CCC(OCC=C(C)Cl)c1ccccc1 fae9d24f01e79eacd4ffe7eb42dd72b7 [0,1,1,0,0,0|1,0,1]=4 1439 B15R1.5331 CCC(OCC=C(C)I)c1ccccc1 3129e84a839aea0b9d2fbb5ba3720a50 [0,1,1,0,0,0|1,0,1]=4 1440 B15R1.5331 CCC(OCCC(=O)C)c1ccccc1 6a1b25a589b66ef096707e69fa10b63a [0,1,1,0,0,0|1,0,0]=3 1441 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 192b8366a2efdac939f7d98abbf2c42a [0,1,1,0,0,0|2,0,0]=4 1442 B15R1.5331 CCC(OCCC(=O)O)c1ccccc1 db90b12242222750b9d5bcd2626efe89 [0,1,1,0,0,0|2,0,0]=4 1443 B15R1.5331 CCC(OCCC(C)C)c1ccccc1 5010f4c78e8276e2707cad08a15b6fd7 [0,1,1,0,0,0|1,0,0]=3 1444 B15R1.5331 CCC(OCCC(F)F)c1ccccc1 80d78909d44640b71f3567b80e520dcc [0,1,1,0,0,0|2,0,0]=4 1445 B15R1.5331 CCC(OCCN(C)C)c1ccccc1 b301825646911ae7fc3fbb4c5f0f471d [0,1,1,0,0,0|0,0,0]=2 1446 B15R1.5331 CCC(OCCS(=O)C)c1ccccc1 78bfdb6edc2c5586bca62ac62d1bb4fd [0,1,1,0,0,0|1,0,0]=3 1447 B15R1.5331 CCC(OCC[N+](=O)[O-])c1ccccc1 d36b83ec37846afe49ff0e3b499fa419 [0,1,1,0,0,0|1,0,1]=4 1448 B15R1.5331 CCC(OCNC(=O)C)c1ccccc1 2da32f1f18c1e6c06a0be0957fa1442e [0,1,1,0,0,0|2,0,0]=4 1449 B15R1.5331 CCC(OCOC(=O)C)c1ccccc1 85bb5dcab28c7e76b98a35af7fcec2ec [0,1,1,0,0,0|2,0,0]=4 1450 B15R1.5331 CCC(OCOC(C)C)c1ccccc1 2f544760af25ef93f00a7578cf7a42c7 [0,1,1,0,0,0|2,0,0]=4 1451 B15R1.5331 CCN(CCCN(C)C)c1ccccc1 38a155b498f5aad8ed38a691d2b88aa8 [0,1,1,0,0,0|2,0,0]=4 1452 B15R1.5331 CC[C@@H](NCCC(=O)C)c1ccccc1 f9aea116fc53a14e1ce5aca61a86d20d [0,1,1,0,0,0|2,0,0]=4 1453 B15R1.5331 CC[C@@H](NCCC(C)C)c1ccccc1 9ae81d8ce361dea4fae34795036407a9 [0,1,1,0,0,0|2,0,0]=4 1454 B15R1.5331 CC[C@@H](NCCC(C)O)c1ccccc1 0dcfed285989cee44575771aa95f5e23 [0,1,1,0,0,0|2,0,0]=4 1455 B15R1.5331 CC[C@@H](NCCN(C)C)c1ccccc1 a6a8a644090b551b207c50d779d9b4cf [0,1,1,0,0,0|1,0,0]=3 1456 B15R1.5331 CC[C@@H](NCCN(C)C)c1ccccn1 d2d07f84dee9ae8b2d0e68426c42ede7 [0,1,1,0,0,0|2,0,0]=4 1457 B15R1.5331 CC[C@@H](OC/C=C(/C)\I)c1ccccc1 89afdc07c16097c6b1ebc3690d20ddc3 [0,1,1,0,0,0|1,0,1]=4 1458 B15R1.5331 CC[C@@H](OC/C=C(\C)/Cl)c1ccccc1 f57c65ccafb40e9a5cd7673e9457e535 [0,1,1,0,0,0|1,0,1]=4 1459 B15R1.5331 CC[C@@H](OCC=C(C)C)c1ccccc1 084885aa8469e63cb80052a9f4737d7a [0,1,1,0,0,0|1,0,1]=4 1460 B15R1.5331 CC[C@@H](OCC=C(C)Cl)c1ccccc1 a99f9fe1eac614f357388942850fc676 [0,1,1,0,0,0|1,0,1]=4 1461 B15R1.5331 CC[C@@H](OCC=C(C)I)c1ccccc1 890a05d91514baf529e68a19b97fc938 [0,1,1,0,0,0|1,0,1]=4 1462 B15R1.5331 CC[C@@H](OCCC(=O)N)c1ccccc1 cf823bcc8e5b610902772d00a90a2c76 [0,1,1,0,0,0|2,0,0]=4 1463 B15R1.5331 CC[C@@H](OCCC(C)C)c1ccccc1 06a157c9292e4836e9ba20162522efb1 [0,1,1,0,0,0|1,0,0]=3 1464 B15R1.5331 CC[C@@H](OCOC(=O)C)c1ccccc1 841b3e73add7b3970cee36b77570cf85 [0,1,1,0,0,0|2,0,0]=4 1465 B15R1.5331 CC[C@@H](OCOC(C)C)c1ccccc1 d21e93406b350e1be34336a75a03bf1a [0,1,1,0,0,0|2,0,0]=4 1466 B15R1.5331 CC[C@H](NCCC(=O)C)c1ccccc1 515ff388a5d48c309e276019ce2c6652 [0,1,1,0,0,0|2,0,0]=4 1467 B15R1.5331 CC[C@H](NCCC(C)C)c1ccccc1 ce679324357b9b2e37a15098ce3fd252 [0,1,1,0,0,0|2,0,0]=4 1468 B15R1.5331 CC[C@H](NCCC(C)O)c1ccccc1 81cc49fcd99e025c396768080aaa9b0c [0,1,1,0,0,0|2,0,0]=4 1469 B15R1.5331 CC[C@H](NCCN(C)C)c1ccccc1 a02a0c45366cc98dc7fcf1aafb330ecf [0,1,1,0,0,0|1,0,0]=3 1470 B15R1.5331 CC[C@H](NCCN(C)C)c1ccccn1 29cd9fdf5bdfeba8ece1ee28b97fe155 [0,1,1,0,0,0|2,0,0]=4 1471 B15R1.5331 CC[C@H](NCCN(C)C)c1ccncc1 43e81f0167dbcb2bdf8819d059ce3c4b [0,1,1,0,0,0|2,0,0]=4 1472 B15R1.5331 CC[C@H](OC/C=C(/C)\I)c1ccccc1 c71478f4a274796a5a7b55525fd56fe0 [0,1,1,0,0,0|1,0,1]=4 1473 B15R1.5331 CC[C@H](OC/C=C(\C)/Cl)c1ccccc1 41248b2673b927d0fbe052c00c677614 [0,1,1,0,0,0|1,0,1]=4 1474 B15R1.5331 CC[C@H](OCC=C(C)C)c1ccccc1 d1969b2b65af80ff384d09c24566b340 [0,1,1,0,0,0|1,0,1]=4 1475 B15R1.5331 CC[C@H](OCC=C(C)Cl)c1ccccc1 7d1e6ad4e915b76a4ca00114332b2b70 [0,1,1,0,0,0|1,0,1]=4 1476 B15R1.5331 CC[C@H](OCC=C(C)I)c1ccccc1 fde8d78806d2a6e41031ee3619b0498e [0,1,1,0,0,0|1,0,1]=4 1477 B15R1.5331 CC[C@H](OCCC(=O)N)c1ccccc1 a86b0b7e7912e176d5ab5a58feb471ab [0,1,1,0,0,0|2,0,0]=4 1478 B15R1.5331 CC[C@H](OCCC(C)C)c1ccccc1 2d034d4469f8b650dfae430d50a8815b [0,1,1,0,0,0|1,0,0]=3 1479 B15R1.5331 CC[C@H](OCOC(=O)C)c1ccccc1 57048519e4838f706e53d6ff109415a0 [0,1,1,0,0,0|2,0,0]=4 1480 B15R1.5331 CC[C@H](OCOC(C)C)c1ccccc1 2d84e82c326b43baa3a2a4059e3355b3 [0,1,1,0,0,0|2,0,0]=4 1481 B15R1.5331 CN(C)CCNC(CO)c1ccccc1 88322a7541110a05a469ea38681c033c [0,1,1,0,0,0|2,0,0]=4 1482 B15R1.5331 CN(C)CCN[C@@H](CF)c1ccccc1 dbbc8090b23741cdb62e0959be53a2c7 [0,1,1,0,0,0|2,0,0]=4 1483 B15R1.5331 CN(C)CCN[C@@H](CO)c1ccccc1 8ea970d8ae2d8cc8f897cf3b20c2754a [0,1,1,0,0,0|2,0,0]=4 1484 B15R1.5331 CN(C)CCN[C@H](CO)c1ccccc1 c04b8ea96a415f530724616be9aece0c [0,1,1,0,0,0|2,0,0]=4 1485 B15R1.5331 CN(C)CCOC(C#N)c1ccccc1 4ffa3d2221433e967bec063f4d3caeec [0,1,1,0,0,0|1,0,1]=4 1486 B15R1.5331 CN(C)CCOC(CF)c1ccccc1 54a6922d5feb4c5e57a9bb8e4ec57e3e [0,1,1,0,0,0|1,0,0]=3 1487 B15R1.5331 CN(C)CCO[C@@H](C#N)c1ccccc1 880780be598ffb5b2999c6cd86a9df87 [0,1,1,0,0,0|1,0,1]=4 1488 B15R1.5331 CN(C)CCO[C@H](CF)c1ccccc1 04b79618d27c099d1aaa2775d2baa3c5 [0,1,1,0,0,0|1,0,0]=3 1489 B15R1.158 C=CCOC(c1ccccc1)C(C)CC 9a1226ffa6c23b82af96f6c705da4ea4 [0,1,1,0,0,0|1,0,1]=4 1490 B15R1.158 CCC(C)C(OCC=O)c1ccccc1 45dcb496b9d8780bf7dfc69cd99c9949 [0,1,1,0,0,0|1,0,1]=4 1491 B15R1.158 CCC(C)C(OCCS)c1ccccc1 7560d5582f46be794dfa9c94b0cde08d [0,1,1,0,0,0|1,0,0]=3 1492 B15R1.158 CCCOC(C(=O)NC)c1ccccc1 e0a50d552ee42959cf6bef6dc9d68855 [0,1,1,0,0,0|1,0,1]=4 1493 B15R1.158 CCCO[C@@H](C(=O)NC)c1ccccc1 c7de551afea22795541734a40045f2a2 [0,1,1,0,0,0|1,0,1]=4 1494 B15R1.158 CCCO[C@H](C(=O)NC)c1ccccc1 dd9b5e7259867232f53b3b206d1761f9 [0,1,1,0,0,0|1,0,1]=4 1495 B15R1.158 CNC(=O)C(OCCF)c1ccccc1 b8302be3a88038f04ed28ee6ae0e58fa [0,1,1,0,0,0|1,0,1]=4 1496 B15R1.158 CNC(=O)C(OCCS)c1ccccc1 010ab895e7dedc310e59af7b32be081f [0,1,1,0,0,0|1,0,1]=4 1497 B15R1.158 CNC(=O)C(OCOC)c1ccccc1 64eecd5ef2183694b57e856dae2c5442 [0,1,1,0,0,0|1,0,1]=4 1498 B15R1.158 CNC(=O)C(OCSC)c1ccccc1 2470601c1c4e2f035c1dc1ff32df3ab4 [0,1,1,0,0,0|1,0,1]=4 1499 B15R1.158 CNC(=O)[C@@H](OCCF)c1ccccc1 4895711af013f62b53dc7de0f13daa41 [0,1,1,0,0,0|1,0,1]=4 1500 B15R1.158 CNC(=O)[C@@H](OCCS)c1ccccc1 bda8a2f4611745209d2b9975ffba69af [0,1,1,0,0,0|1,0,1]=4 1501 B15R1.158 CNC(=O)[C@@H](OCOC)c1ccccc1 721021ca05a23529b5087ad00087ae12 [0,1,1,0,0,0|1,0,1]=4 1502 B15R1.158 CNC(=O)[C@@H](OCSC)c1ccccc1 0cab553d21f3e6b79d208f3bcdb8cb6c [0,1,1,0,0,0|1,0,1]=4 1503 B15R1.158 CNC(=O)[C@H](OCCF)c1ccccc1 cf2c9f4cf32ff602e39c436d3a7ac080 [0,1,1,0,0,0|1,0,1]=4 1504 B15R1.158 CNC(=O)[C@H](OCCS)c1ccccc1 449d953b2b3a18cd6f490a7e47d1fb0d [0,1,1,0,0,0|1,0,1]=4 1505 B15R1.158 CNC(=O)[C@H](OCOC)c1ccccc1 a5a5b7a36e0af5b0d9940a50314df6c7 [0,1,1,0,0,0|1,0,1]=4 1506 B15R1.158 CNC(=O)[C@H](OCSC)c1ccccc1 61b72168f23b8dfbf88437d16745bec4 [0,1,1,0,0,0|1,0,1]=4 1507 B15R1.616 CCOC(c1ccc(cc1)F)C(C)CC 99b636e3c01c33be555a9a114b327fde [0,1,1,0,0,0|1,0,0]=3 1508 B15R1.635 CCOC(C(=O)N(C)C)c1ccccc1 28f92637b39d614945f8adc8483f0811 [0,1,1,0,0,0|1,0,1]=4 1509 B15R1.635 CCO[C@@H](C(=O)N(C)C)c1ccccc1 96503a0940c5c8fb650ac0a68ab593ad [0,1,1,0,0,0|1,0,1]=4 1510 B15R1.635 CCO[C@H](C(=O)N(C)C)c1ccccc1 af74d2ee3dfd3ee47ab4ed331e67e8b3 [0,1,1,0,0,0|1,0,1]=4 1511 B15R1.3197 CNC(=O)C(OC(C)C)c1ccccc1 3c67f7bdbaf09289bbb1f7577d99e65c [0,1,1,0,0,0|1,0,1]=4 1512 B15R1.3197 CNC(=O)[C@@H](OC(C)C)c1ccccc1 ac329aa5315a6193200b6a84878331d2 [0,1,1,0,0,0|1,0,1]=4 1513 B15R1.3197 CNC(=O)[C@H](OC(C)C)c1ccccc1 60e88698f975943e4f2cc3d2bbe7c56c [0,1,1,0,0,0|1,0,1]=4 1514 B15R1.5853 CCC(C)C(OCF)c1ccccc1Cl cf83b45de4bb65b5f99dfbb222bbdece [0,1,1,0,0,0|2,0,0]=4 1515 B15R1.5853 CCOC(c1ccccc1Cl)C(C)CC d1ed9624bedcffefd68270e74c89a461 [0,1,1,0,0,0|1,0,0]=3 1516 B15R1.26 CCC(C)CCNCc1ccc(cc1)Br 155efd4acebb4d40124570fd5f5f708d [0,1,1,0,0,0|2,0,0]=4 1517 B15R1.26 CCC(C)CCNCc1ccc(cc1)C 6c2a91322085e02bab2eea14de885ada [0,1,1,0,0,0|2,0,0]=4 1518 B15R1.26 CCC(C)CCNCc1ccc(cc1)Cl 8929f4437d6b2dd005d6a69b78ca032d [0,1,1,0,0,0|2,0,0]=4 1519 B15R1.26 CCC(C)CCNCc1ccc(cc1)F 138c82780ba87178c96c67d0dfad0fc4 [0,1,1,0,0,0|2,0,0]=4 1520 B15R1.26 CCC(C)CCNCc1ccc(cc1)I fc3e679058f060ac9e2bcb5ea21a2931 [0,1,1,0,0,0|2,0,0]=4 1521 B15R1.26 CCC(C)CCOCc1cc[n+](cc1)[O-] e0003b9e0b61d7030717cbc3423535f3 [0,1,1,0,0,0|2,0,0]=4 1522 B15R1.26 CCC(C)CCOCc1ccc(cc1)Br 2cfe5c2e631650cb58164afaa8ecdb46 [0,1,1,0,0,0|1,0,0]=3 1523 B15R1.26 CCC(C)CCOCc1ccc(cc1)C 651c6f8470f83583a9a6a602a545f46a [0,1,1,0,0,0|1,0,0]=3 1524 B15R1.26 CCC(C)CCOCc1ccc(cc1)Cl b16a28b18045cbd9624ec351c97c3b20 [0,1,1,0,0,0|1,0,0]=3 1525 B15R1.26 CCC(C)CCOCc1ccc(cc1)F 2e7546217fed4482f095084399b4eb65 [0,1,1,0,0,0|1,0,0]=3 1526 B15R1.26 CCC(C)CCOCc1ccc(cc1)I 0f2c0da0518287aea120558c03ef12d5 [0,1,1,0,0,0|1,0,0]=3 1527 B15R1.26 CCC(C)CCOCc1ccc(cc1)S 49b591d088da84fba7972883255a8f61 [0,1,1,0,0,0|1,0,0]=3 1528 B15R1.26 CCC(C)CCOCc1ccc(cn1)Br e90462a679f6e3efcdb12ecf9995d6ac [0,1,1,0,0,0|2,0,0]=4 1529 B15R1.26 CCC(C)CCOCc1ccc(cn1)C c1c1599900e52a9f240a39845523e0cd [0,1,1,0,0,0|2,0,0]=4 1530 B15R1.26 CCC(C)CCOCc1ccc(cn1)Cl 0306113c353c609e728233ad31de0677 [0,1,1,0,0,0|2,0,0]=4 1531 B15R1.26 CCC(C)CCOCc1ccc(cn1)F 6326d55fc0d47cf97207541a0a85616a [0,1,1,0,0,0|2,0,0]=4 1532 B15R1.26 CCC(C)CCOCc1ccc(cn1)I 973283f67516c72e91f41a9c93069bda [0,1,1,0,0,0|2,0,0]=4 1533 B15R1.26 CCC(C)CCOCc1ccc(nc1)Br feb18db90b15545ee2604c9c5ebac481 [0,1,1,0,0,0|2,0,0]=4 1534 B15R1.26 CCC(C)CCOCc1ccc(nc1)C e16a474e410ad0b92df453eb888a947a [0,1,1,0,0,0|2,0,0]=4 1535 B15R1.26 CCC(C)CCOCc1ccc(nc1)Cl aa2e67c4d3b832a66133c63847c28289 [0,1,1,0,0,0|2,0,0]=4 1536 B15R1.26 CCC(C)CCOCc1ccc(nc1)F a288cd947a209341b6d2c562daa494a7 [0,1,1,0,0,0|2,0,0]=4 1537 B15R1.26 CCC(S)CCOCc1ccc(cc1)Br 1baaca0704c8dd143b3b3254de0571ef [0,1,1,0,0,0|2,0,0]=4 1538 B15R1.26 CCC(S)CCOCc1ccc(cc1)C ba3cdcc29c063c24b972a4ea70143d7e [0,1,1,0,0,0|2,0,0]=4 1539 B15R1.26 CCC(S)CCOCc1ccc(cc1)Cl 3a654fdf78b90a27a7d65cad777347a4 [0,1,1,0,0,0|2,0,0]=4 1540 B15R1.26 CCC(S)CCOCc1ccc(cc1)F 7bca65033f32f6fb88fe6c8a911eef3c [0,1,1,0,0,0|2,0,0]=4 1541 B15R1.26 CCC(S)CCOCc1ccc(cc1)I 15f9a03d43a68b25ff486389f3a67136 [0,1,1,0,0,0|2,0,0]=4 1542 B15R1.26 CCN(C)CCCCc1ccc(cc1)Br 3209023dba9d1909ea429c1fdac44ba0 [0,1,1,0,0,0|1,0,0]=3 1543 B15R1.26 CCN(C)CCCCc1ccc(cc1)Cl 21c7b38c4b630c7233308171c41d8fcb [0,1,1,0,0,0|1,0,0]=3 1544 B15R1.26 CCN(C)CCCCc1ccc(cc1)F a518368dbe45115c1ed71b7c779d6f9b [0,1,1,0,0,0|1,0,0]=3 1545 B15R1.26 CCN(C)CCCNc1ccc(cc1)C 2faa4899c253e8c8202d7814b0987642 [0,1,1,0,0,0|2,0,0]=4 1546 B15R1.26 CCN(C)CCCNc1ccc(cc1)F 83b84e94e266cf04fa938ed42156f872 [0,1,1,0,0,0|2,0,0]=4 1547 B15R1.26 CCN(C)CCCNc1ccc(cc1)S e030a1d22e526262df31b0c25346f9cb [0,1,1,0,0,0|2,0,0]=4 1548 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 3fad7342eb6fdc2744e8b38c2fbe4a75 [0,1,1,0,0,0|2,0,0]=4 1549 B15R1.26 CCN(C)CCCOc1ccc(cc1)C d70c706fc3d40e842d836c89d388f498 [0,1,1,0,0,0|2,0,0]=4 1550 B15R1.26 CCN(C)CCCOc1ccc(cc1)Cl d572e592e19869d6a404802e324b5414 [0,1,1,0,0,0|2,0,0]=4 1551 B15R1.26 CCN(C)CCCOc1ccc(cc1)F f1d06102df0b77871e59eeee2ce6c1e4 [0,1,1,0,0,0|2,0,0]=4 1552 B15R1.26 CCN(C)CCCOc1ccc(cc1)I a7ebbd3c59bab9eb96c71f1508770e84 [0,1,1,0,0,0|2,0,0]=4 1553 B15R1.26 CCN(C)CCOCc1ccc(cc1)Cl 026a1694cf9f2c3635bbecaf44af51bc [0,1,1,0,0,0|0,0,0]=2 1554 B15R1.26 CCS(=O)CCOCc1ccc(cc1)Br 9396e9387f601a6922ffe4191f116f4c [0,1,1,0,0,0|2,0,0]=4 1555 B15R1.26 CCS(=O)CCOCc1ccc(cc1)C ee3e7f684f0108f17124ab7c08fc98e2 [0,1,1,0,0,0|2,0,0]=4 1556 B15R1.26 CCS(=O)CCOCc1ccc(cc1)Cl df7a27cba04217c0bf126283bbc69338 [0,1,1,0,0,0|2,0,0]=4 1557 B15R1.26 CCS(=O)CCOCc1ccc(cc1)F 5b5c36f2b19970091f4c8c50b4615891 [0,1,1,0,0,0|2,0,0]=4 1558 B15R1.26 CCS(=O)CCOCc1ccc(cc1)I 4ab3b2607bdbbc8d0a60fd48e36491b8 [0,1,1,0,0,0|2,0,0]=4 1559 B15R1.26 CCS(=O)CCOCc1ccc(cc1)S e97af9a9786da2c3d860e130a1566780 [0,1,1,0,0,0|2,0,0]=4 1560 B15R1.26 CC[C@H](C)CCOCc1ccc(cc1)Br edd92f733d46f7357a02d1872b59ab43 [0,1,1,0,0,0|1,0,0]=3 1561 B15R1.26 CC[C@H](C)CCOCc1ccc(cc1)C 4a866d9f2be17737b117d0d76018b725 [0,1,1,0,0,0|1,0,0]=3 1562 B15R1.26 CC[C@H](C)CCOCc1ccc(cc1)Cl 34bafe76b92c2ed17a8f5d39896aa1dc [0,1,1,0,0,0|1,0,0]=3 1563 B15R1.26 CC[C@H](C)CCOCc1ccc(cc1)F d21a20b79c7d288a6dd4ceaa873cf0ff [0,1,1,0,0,0|1,0,0]=3 1564 B15R1.26 CC[C@H](C)CCOCc1ccc(cc1)I 905d008f8e642020cb19258469b33e20 [0,1,1,0,0,0|1,0,0]=3 1565 B15R1.26 CC[C@H](C)CCOCc1ccc(cn1)Br 3feeaaf47030e7a3ad4302997a4018ea [0,1,1,0,0,0|2,0,0]=4 1566 B15R1.26 CC[C@H](C)CCOCc1ccc(cn1)C aad4293dd8b299ccb4085d333cd103de [0,1,1,0,0,0|2,0,0]=4 1567 B15R1.26 CC[C@H](C)CCOCc1ccc(cn1)Cl 13a9e3d7601b5393f50907c2317b8194 [0,1,1,0,0,0|2,0,0]=4 1568 B15R1.26 CC[C@H](C)CCOCc1ccc(cn1)F 218b456d40acbd7659ecc437be126bfe [0,1,1,0,0,0|2,0,0]=4 1569 B15R1.26 CC[C@H](C)CCOCc1ccc(nc1)Br 4a395320b142c8bce3335083807d306d [0,1,1,0,0,0|2,0,0]=4 1570 B15R1.26 CC[C@H](C)CCOCc1ccc(nc1)C 9fab04f043b863b35bcb2dc56bd67f2b [0,1,1,0,0,0|2,0,0]=4 1571 B15R1.26 CC[C@H](C)CCOCc1ccc(nc1)Cl 3a9f0b6f51afb1fc9bbf575e71468ecd [0,1,1,0,0,0|2,0,0]=4 1572 B15R1.26 CC[C@H](C)CCOCc1ccc(nc1)F 07ea15ca31d9a1544df7688ebeba0150 [0,1,1,0,0,0|2,0,0]=4 1573 B15R1.26 CN(C#N)CCOCc1ccc(cc1)Br a4b9bf72dfda70f2c9b234d25311b752 [0,1,1,0,0,0|1,0,1]=4 1574 B15R1.26 CN(C#N)CCOCc1ccc(cc1)Cl 8ffc07514a8351fdcb49b1bc1bba15e7 [0,1,1,0,0,0|1,0,1]=4 1575 B15R1.26 CN(C#N)CCOCc1ccc(cc1)F fd1e0ebbd7ddb52bc85be561ed903ef8 [0,1,1,0,0,0|1,0,1]=4 1576 B15R1.26 CN(C#N)CCOCc1ccc(cc1)I 4789d21e20dadf6186b9551786a4d0c0 [0,1,1,0,0,0|1,0,1]=4 1577 B15R1.26 CN(C=O)CCOCc1ccc(cc1)Br ab2c4c65399f3d7d2d1aba95c0ddf423 [0,1,1,0,0,0|1,0,1]=4 1578 B15R1.26 CN(C=O)CCOCc1ccc(cc1)Cl 96725a851ce6d8eb5836ddf4b9608146 [0,1,1,0,0,0|1,0,1]=4 1579 B15R1.26 CN(C=O)CCOCc1ccc(cc1)F 3273df97e8d3fddfd68cddae13761aee [0,1,1,0,0,0|1,0,1]=4 1580 B15R1.26 CN(C=O)CCOCc1ccc(cc1)I cfca917368c79b1fffd09f1a9b329197 [0,1,1,0,0,0|1,0,1]=4 1581 B15R1.26 CN(CF)CCCCc1ccc(cc1)Br 4d855edb8a6894b3c5b3b7bb4399f963 [0,1,1,0,0,0|2,0,0]=4 1582 B15R1.26 CN(CO)CCCCc1ccc(cc1)Br 108c2b9e0096ab5a1c25e5a6fd61398f [0,1,1,0,0,0|2,0,0]=4 1583 B15R1.26 COC(C)CCOCc1ccc(cc1)Br 7b96a4384fbbeb32df65d1494c425b8f [0,1,1,0,0,0|2,0,0]=4 1584 B15R1.26 COC(C)CCOCc1ccc(cc1)C 7f3849822b5d2f2915558dd85e334335 [0,1,1,0,0,0|2,0,0]=4 1585 B15R1.26 COC(C)CCOCc1ccc(cc1)Cl efbe6740435b571808d8912c8f533d42 [0,1,1,0,0,0|2,0,0]=4 1586 B15R1.26 COC(C)CCOCc1ccc(cc1)F 2aa74d987ca8bbe82017a0221b7a7ab2 [0,1,1,0,0,0|2,0,0]=4 1587 B15R1.26 COC(C)CCOCc1ccc(cc1)I 303f99fc3d779dffe6d4e35f94096deb [0,1,1,0,0,0|2,0,0]=4 1588 B15R1.26 Cc1ccc(cc1)COCCN(C)C#N e456a1594ade015c090d2a3468df94c5 [0,1,1,0,0,0|1,0,1]=4 1589 B15R1.26 Cc1ccc(cc1)COCCN(C)C=O e3911848bd24994af426456cc318bbea [0,1,1,0,0,0|1,0,1]=4 1590 B15R1.315 CCC(C)(C)CCNCc1ccccc1 bc3f0a8fc7b1bc2ab39a36ffcc71a22c [0,1,1,0,0,0|2,0,0]=4 1591 B15R1.315 CCC(C)(C)CCOCc1ccccc1 1eed9bbbc89ce43109d77834d19213f1 [0,1,1,0,0,0|1,0,0]=3 1592 B15R1.315 CCC(C)(C)CCOCc1ccccn1 65e492ba99efbaa549e9fb34454b0f8d [0,1,1,0,0,0|2,0,0]=4 1593 B15R1.315 CCC(C)(C)CCOCc1cccnc1 a62404779b7879039494d8d6b30eab4b [0,1,1,0,0,0|2,0,0]=4 1594 B15R1.315 CCC(C)(C)CCOCc1ccncc1 02c5f26f854bb62b6e1548f8e96ab539 [0,1,1,0,0,0|2,0,0]=4 1595 B15R1.315 CCS(=O)(=O)CCOCc1ccccc1 2c761c9fbbb458d9d42b0301c37d4448 [0,1,1,0,0,0|2,0,0]=4 1596 B15R1.315 COC(C)(C)CCOCc1ccccc1 3f4ab606801c6a7efccadf5fd9cd22b2 [0,1,1,0,0,0|2,0,0]=4 1597 B15R1.452 CCC(CC)CCNCc1ccccc1 f018c7d9e9df6cb227382a956d57beb5 [0,1,1,0,0,0|2,0,0]=4 1598 B15R1.452 CCC(CC)NCOCc1ccccc1 6c4e2c2a7e2255681c5762969e0bd226 [0,1,1,0,0,0|2,0,0]=4 1599 B15R1.452 CCC(CO)NCOCc1ccccc1 652d36bf042aa11e6192b2cd0c20ac51 [0,1,1,0,0,0|2,0,0]=4 1600 B15R1.452 CCN(C=O)CCCCc1ccccc1 6974384db63930b0544def4d67f6388a [0,1,1,0,0,0|1,0,1]=4 1601 B15R1.452 CCN(CC)CCCNc1ccccc1 57b9545f0d0935e49e8d00b152280d23 [0,1,1,0,0,0|2,0,0]=4 1602 B15R1.452 CCN(CC)CCNCc1ccccc1 b7110f17ed582afde5270d51178ecc57 [0,1,1,0,0,0|1,0,0]=3 1603 B15R1.452 CCN(CC)CCNCc1ccccn1 7c5226bc32ff93b0d5dfc7f04baa87fa [0,1,1,0,0,0|2,0,0]=4 1604 B15R1.452 CCN(CC)CCNCc1cccnc1 e1d70b588f2f26a545faddaf4fa39f61 [0,1,1,0,0,0|2,0,0]=4 1605 B15R1.452 CCN(CC)CCOCc1ccccc1 1c50d72f485069f59bca4d832865a7ba [0,1,1,0,0,0|0,0,0]=2 1606 B15R1.452 CCN(CC)CCOCc1ccccn1 44801f2cced04e97e7607d21c0a311f0 [0,1,1,0,0,0|1,0,0]=3 1607 B15R1.452 CCN(CC)CCOCc1cccnc1 5e438457e55748ad9aa5a54155a066f5 [0,1,1,0,0,0|1,0,0]=3 1608 B15R1.452 CCN(CC)CCOCc1cccnn1 b43d1a2de21640cd441dd259ed9459d5 [0,1,1,0,0,0|2,0,0]=4 1609 B15R1.452 CCN(CC)CCOCc1ccncn1 d7770bedd5a40f3766e4755043e6caaf [0,1,1,0,0,0|2,0,0]=4 1610 B15R1.452 CCN(CC)CCOCc1cncnc1 ec9e8e3bae6fde2a2dc8c51f617b3145 [0,1,1,0,0,0|2,0,0]=4 1611 B15R1.452 CCN(CC)CCOCc1ncccn1 2fb602d4867bc0c4bf85b4036c6c0aab [0,1,1,0,0,0|2,0,0]=4 1612 B15R1.452 CCN(CC)COCCc1ccccc1 78622dbbdf328af6503675bb8ed34f15 [0,1,1,0,0,0|2,0,0]=4 1613 B15R1.452 CC[C@@H](CO)NCOCc1ccccc1 d7146aa843f6400175ec901b47cb8fcb [0,1,1,0,0,0|2,0,0]=4 1614 B15R1.452 CC[C@H](CO)NCOCc1ccccc1 4a26b4af8b96888b9d05772010c96396 [0,1,1,0,0,0|2,0,0]=4 1615 B15R1.452 COC(CCOCc1ccccc1)OC efc2efecf64a71387efa039c1a1dd39c [0,1,1,0,0,0|2,0,0]=4 1616 B15R1.741 CCC(C)CC(C)NCc1ccccc1 f6d1958e3d513befb4b70fd21e46a554 [0,1,1,0,0,0|2,0,0]=4 1617 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 8bd09137113e2a18c8c4ce90693910f2 [0,1,1,0,0,0|1,0,1]=4 1618 B15R1.741 CCN(C)CC(=O)OCc1ccccc1 278b95cdc70df9e886b84807a287ec32 [0,1,1,0,0,0|0,0,1]=3 1619 B15R1.741 CCN(C)CC(C)CNc1ccccc1 1f3ccf550709176a17cc86b823fed151 [0,1,1,0,0,0|2,0,0]=4 1620 B15R1.741 CCN(C)CC(O)COc1ccccc1 3aa52d56eb923f3087ef88046040936b [0,1,1,0,0,0|2,0,0]=4 1621 B15R1.741 COC(C)CC(C)OCc1ccccc1 edca40cfa9207c0306fd7562f2a5c85d [0,1,1,0,0,0|2,0,0]=4 1622 B15R1.778 C#CCN(C)CCCCc1ccccc1 1457ef4c1e755262cfcab4275382f07f [0,1,1,0,0,0|1,0,1]=4 1623 B15R1.778 C#CCN(C)CCOCc1ccccc1 77b8995d178bb1d5f5d3c47da1315c30 [0,1,1,0,0,0|0,0,1]=3 1624 B15R1.778 C#CCN(C)CCOCc1ccccn1 a409fa01fa42cb9277d390abd9e414ed [0,1,1,0,0,0|1,0,1]=4 1625 B15R1.778 C#CCN(C)CCOCc1cccnc1 b5a7e1eeb93edc4c76b040fbce15aa4a [0,1,1,0,0,0|1,0,1]=4 1626 B15R1.778 C#CCN(C)CCSCc1ccccc1 7127613074bb47af3b9e91cdcbfcacc2 [0,1,1,0,0,0|0,1,1]=4 1627 B15R1.778 C=CCN(C)CCCCc1ccccc1 94d58993f45ddeb2f40c37e2dcf5383b [0,1,1,0,0,0|1,0,1]=4 1628 B15R1.778 C=CCN(C)CCOCc1ccccc1 51f95d19f6afe0b1110879e2520d9339 [0,1,1,0,0,0|0,0,1]=3 1629 B15R1.778 C=CCN(C)CCOCc1ccccn1 25a3e0cd1ee128b46b561b97a72decf9 [0,1,1,0,0,0|1,0,1]=4 1630 B15R1.778 C=CCN(C)CCOCc1cccnc1 0aeb6583e8e474691e16a2084bc9c3b9 [0,1,1,0,0,0|1,0,1]=4 1631 B15R1.778 C=CCN(C)CCSCc1ccccc1 dfafe977732511cb99552b417240216a [0,1,1,0,0,0|0,1,1]=4 1632 B15R1.778 CC(CCO)NCOCc1ccccc1 a96416e86b0d8626210d8f8678df0ecb [0,1,1,0,0,0|2,0,0]=4 1633 B15R1.778 CCCC(C)CCOCc1ccccc1 e12710b0366a5c379fe0649d079ff812 [0,1,1,0,0,0|1,0,0]=3 1634 B15R1.778 CCCC(C)CCOCc1ccccn1 93b0f4c5df6b2766dcfb011553f83e9f [0,1,1,0,0,0|2,0,0]=4 1635 B15R1.778 CCCC(C)CCOCc1cccnc1 03d08b611f45202221c2fd9841095a0d [0,1,1,0,0,0|2,0,0]=4 1636 B15R1.778 CCCC(C)NCOCc1ccccc1 f54176a47fb548ed68bce0d5eef8097e [0,1,1,0,0,0|2,0,0]=4 1637 B15R1.778 CCCC(S)CCOCc1ccccc1 28550760fdba0a2ca3f1728c28eb3fbe [0,1,1,0,0,0|2,0,0]=4 1638 B15R1.778 CCCN(C)CCCCc1ccccc1 bfdfb454c67f597b3b0dc62231d8cab5 [0,1,1,0,0,0|1,0,0]=3 1639 B15R1.778 CCCN(C)CCCOc1ccccc1 83191870d3a6e9b5ec609f11d770c0c0 [0,1,1,0,0,0|2,0,0]=4 1640 B15R1.778 CCCN(C)CCCSc1ccccc1 50ceea89f353afcaf26a58d607010011 [0,1,1,0,0,0|2,0,0]=4 1641 B15R1.778 CCCN(C)CCOCc1ccccc1 026cdb1a4837f8f5e0e6e676d0c3b1db [0,1,1,0,0,0|0,0,0]=2 1642 B15R1.778 CCCN(C)CCSCc1ccccc1 8cd7bf5e6102db5fed0dce25eb95f66e [0,1,1,0,0,0|0,1,0]=3 1643 B15R1.778 CCC[C@H](C)NCOCc1ccccc1 1cc52a4b291e64f5efb1ac372f8e6737 [0,1,1,0,0,0|2,0,0]=4 1644 B15R1.778 CCNC(=O)CCOCc1ccccc1 6efb9660a51a2559496637115a9cba38 [0,1,1,0,0,0|2,0,0]=4 1645 B15R1.778 CCOC(=O)CCOCc1ccccc1 4b3442d0043ce6e9e75fe06e2fa62754 [0,1,1,0,0,0|2,0,0]=4 1646 B15R1.778 CN(CC#N)CCCCc1ccccc1 a4bcaccb7039d6a6315606c2f3cf2c54 [0,1,1,0,0,0|1,0,1]=4 1647 B15R1.778 CN(CC#N)CCOCc1ccccc1 c1cbad9c362966d9bd9995419efd2e35 [0,1,1,0,0,0|0,0,1]=3 1648 B15R1.778 CN(CC#N)CCOCc1ccccn1 e5005b3b128e5b8b6629c47c2ce19b99 [0,1,1,0,0,0|1,0,1]=4 1649 B15R1.778 CN(CC#N)CCOCc1cccnc1 b0d5adf2a289d8cd6227361fc24d17e1 [0,1,1,0,0,0|1,0,1]=4 1650 B15R1.778 CN(CC#N)CCSCc1ccccc1 97cce8b93a43b9b0cfe69b27f8be51c2 [0,1,1,0,0,0|0,1,1]=4 1651 B15R1.778 CN(CC=O)CCCCc1ccccc1 94e486f3ea1dd9993a597c46fd7aca64 [0,1,1,0,0,0|1,0,1]=4 1652 B15R1.778 CN(CC=O)CCOCc1ccccc1 4e3b5c6a27b0a2b72a2d784b1e1baaab [0,1,1,0,0,0|0,0,1]=3 1653 B15R1.778 CN(CCF)CCCCc1ccccc1 37bded7319a5402355b05667fbf0cb57 [0,1,1,0,0,0|1,0,0]=3 1654 B15R1.778 CN(CCF)CCCCc1ccncc1 f5d06547bd9a35ef213b1ac15933ac81 [0,1,1,0,0,0|2,0,0]=4 1655 B15R1.778 CN(CCF)CCCOc1ccccc1 619f3119b440a7c24827276c6dd970df [0,1,1,0,0,0|2,0,0]=4 1656 B15R1.778 CN(CCF)CCCSc1ccccc1 724889c473c074dd2d90b13deb64455a [0,1,1,0,0,0|2,0,0]=4 1657 B15R1.778 CN(CCF)CCOCc1ccccc1 5b616dbc91817c2a06ea8d17f0d677c9 [0,1,1,0,0,0|0,0,0]=2 1658 B15R1.778 CN(CCF)CCSCc1ccccc1 580e03949b7325a0af4b6c38dd603d52 [0,1,1,0,0,0|0,1,0]=3 1659 B15R1.778 CN(CCO)CCCCc1ccccc1 f783ad6ed29b24fe17a4174609a43b9c [0,1,1,0,0,0|1,0,0]=3 1660 B15R1.778 CN(CCO)CCCNc1ccccc1 037f9ec7b1a182763f4f51174951d6f4 [0,1,1,0,0,0|2,0,0]=4 1661 B15R1.778 CN(CCO)CCCOc1ccccc1 2ca4c94be8a098ac135188cd8ef96f43 [0,1,1,0,0,0|2,0,0]=4 1662 B15R1.778 CN(CCO)CCNCc1ccccc1 0e1bd209e07b23af3420381eda416c93 [0,1,1,0,0,0|1,0,0]=3 1663 B15R1.778 CN(CCO)CCNCc1ccccn1 5d885ac18a678d8fd669b714b5465467 [0,1,1,0,0,0|2,0,0]=4 1664 B15R1.778 CN(CCO)CCNCc1cccnc1 d20dc0a56abfd6d87ba4ffe107736065 [0,1,1,0,0,0|2,0,0]=4 1665 B15R1.778 CN(CCO)CCOCc1ccccc1 3a8e23e2511d41d11d56f2ea0a227caa [0,1,1,0,0,0|0,0,0]=2 1666 B15R1.778 CN(CCO)CCSCc1ccccc1 d133d66595c82fdcfe4fb5cb96ca148a [0,1,1,0,0,0|0,1,0]=3 1667 B15R1.778 CN(CCS)CCCCc1ccccc1 983c09db6b83fa7f10ed03620c0542ed [0,1,1,0,0,0|1,0,0]=3 1668 B15R1.778 CN(CCS)CCCOc1ccccc1 c1b73923a5e4471cea2e494051910f2d [0,1,1,0,0,0|2,0,0]=4 1669 B15R1.778 CN(CCS)CCOCc1ccccc1 505d7cdfc47bd38c20e540d44e884f89 [0,1,1,0,0,0|0,0,0]=2 1670 B15R1.778 COCC(C)NCOCc1ccccc1 6aa028a1d2b1558096bcb3acb10bdca2 [0,1,1,0,0,0|2,0,0]=4 1671 B15R1.778 COCN(C)CCCCc1ccccc1 553f557c36f2c7c29e12d802c02d24c1 [0,1,1,0,0,0|1,0,0]=3 1672 B15R1.778 COCN(C)CCCOc1ccccc1 5fb416fad2460571387c4a55eb636ea1 [0,1,1,0,0,0|2,0,0]=4 1673 B15R1.778 COCN(C)CCOCc1ccccc1 49755a77af2853a5aed43c2bf7824324 [0,1,1,0,0,0|0,0,0]=2 1674 B15R1.778 COC[C@@H](C)NCOCc1ccccc1 fdb63dcbdeb363a2027d36f85292b79c [0,1,1,0,0,0|2,0,0]=4 1675 B15R1.778 COC[C@H](C)NCOCc1ccccc1 4d4d6acf96388cbc8e08d289cbff83e6 [0,1,1,0,0,0|2,0,0]=4 1676 B15R1.778 CSCN(C)CCCCc1ccccc1 46a6c39361412a9969914930e673c33c [0,1,1,0,0,0|1,0,0]=3 1677 B15R1.778 CSCN(C)CCCOc1ccccc1 4b9a687f0b2aab582f3afb773edb55ca [0,1,1,0,0,0|2,0,0]=4 1678 B15R1.778 CSCN(C)CCOCc1ccccc1 708cdaab572984d4f894b2c52bde83fe [0,1,1,0,0,0|0,0,0]=2 1679 B15R1.778 C[C@@H](CCO)NCOCc1ccccc1 db757b60c47e9b90e1ec6fb311044899 [0,1,1,0,0,0|2,0,0]=4 1680 B15R1.778 C[C@H](CCO)NCOCc1ccccc1 30c554277ad197c33cbca0c6c01f9ed4 [0,1,1,0,0,0|2,0,0]=4 1681 B15R1.942 CCC(C)CCNCc1cccc(c1)Br 8b55557555eea06fe73b083b5a785184 [0,1,1,0,0,0|2,0,0]=4 1682 B15R1.942 CCC(C)CCNCc1cccc(c1)C 8cd7ba8c95d1dfe2206e51ca249df444 [0,1,1,0,0,0|2,0,0]=4 1683 B15R1.942 CCC(C)CCNCc1cccc(c1)Cl e6f308a9f4d963e899926d783dcf7da7 [0,1,1,0,0,0|2,0,0]=4 1684 B15R1.942 CCC(C)CCNCc1cccc(c1)F 1c0e7d62fbbff1ed3286044a9253a6ad [0,1,1,0,0,0|2,0,0]=4 1685 B15R1.942 CCC(C)CCNCc1cccc(c1)I 0af05dedda394395e5f18203c39a08b5 [0,1,1,0,0,0|2,0,0]=4 1686 B15R1.942 CCC(C)CCOCc1cc(ccn1)Br 7300a1a9d984881e420043a13a5c68cd [0,1,1,0,0,0|2,0,0]=4 1687 B15R1.942 CCC(C)CCOCc1cc(ccn1)C d7765f7e3d8a466c95755e0be9c5c6f4 [0,1,1,0,0,0|2,0,0]=4 1688 B15R1.942 CCC(C)CCOCc1cc(ccn1)Cl e01191615ebb2a52739ad06cc02e9538 [0,1,1,0,0,0|2,0,0]=4 1689 B15R1.942 CCC(C)CCOCc1cc(ccn1)F 01c3a6559597f48460fb91f6c9d63107 [0,1,1,0,0,0|2,0,0]=4 1690 B15R1.942 CCC(C)CCOCc1cc(ccn1)I 6ccdf20e4736f0d01fa8f9a17b478165 [0,1,1,0,0,0|2,0,0]=4 1691 B15R1.942 CCC(C)CCOCc1cc[nH]c(=O)c1 0a2de683bf59b3ece1b7e86b201cb856 [0,1,1,0,0,0|2,0,0]=4 1692 B15R1.942 CCC(C)CCOCc1ccc[n+](c1)[O-] 6eff83889e21c8e0c26151ae5b9e0f09 [0,1,1,0,0,0|2,0,0]=4 1693 B15R1.942 CCC(C)CCOCc1cccc(c1)Br f0a4bd2c84fd2944ec64c15fa778dd26 [0,1,1,0,0,0|1,0,0]=3 1694 B15R1.942 CCC(C)CCOCc1cccc(c1)C c1d4be79e666b86fd483fd791a0ccd1f [0,1,1,0,0,0|1,0,0]=3 1695 B15R1.942 CCC(C)CCOCc1cccc(c1)Cl f54dd7138828b68061011ce3fef8efe6 [0,1,1,0,0,0|1,0,0]=3 1696 B15R1.942 CCC(C)CCOCc1cccc(c1)F e5d0000afd1764bcf0105495ad4e5b96 [0,1,1,0,0,0|1,0,0]=3 1697 B15R1.942 CCC(C)CCOCc1cccc(c1)I 05ac8a1587eb4e68d0067140e0f26186 [0,1,1,0,0,0|1,0,0]=3 1698 B15R1.942 CCC(C)CCOCc1cccc(n1)Br 8fd191cfd59033d319f6c22e9c64c17b [0,1,1,0,0,0|2,0,0]=4 1699 B15R1.942 CCC(C)CCOCc1cccc(n1)C 2a413668a8ce09f52d84176cb15d065b [0,1,1,0,0,0|2,0,0]=4 1700 B15R1.942 CCC(C)CCOCc1cccc(n1)Cl 756216abafe72f3c0d0938a2a960bcf9 [0,1,1,0,0,0|2,0,0]=4 1701 B15R1.942 CCC(C)CCOCc1cccc(n1)F 0b6b9922514480e0e30a078e4fc1b68f [0,1,1,0,0,0|2,0,0]=4 1702 B15R1.942 CCC(C)CCOCc1cccc(n1)I 9269e37de8ed1aef8c6b1703b43b4341 [0,1,1,0,0,0|2,0,0]=4 1703 B15R1.942 CCC(C)CCOCc1ccnc(c1)Br 039f28082faedb0da25b8089e029d649 [0,1,1,0,0,0|2,0,0]=4 1704 B15R1.942 CCC(C)CCOCc1ccnc(c1)C c2593c8033a58062284e22e6d55fb3af [0,1,1,0,0,0|2,0,0]=4 1705 B15R1.942 CCC(C)CCOCc1ccnc(c1)Cl 480b97fc93223a35af84ec0a82dd732e [0,1,1,0,0,0|2,0,0]=4 1706 B15R1.942 CCC(C)CCOCc1ccnc(c1)F 4ffda2fe9d7716bc909bbde0280ceb68 [0,1,1,0,0,0|2,0,0]=4 1707 B15R1.942 CCC(C)CCOCc1cncc(c1)Br e06b5f67539135b0216cbfc69bf8b23c [0,1,1,0,0,0|2,0,0]=4 1708 B15R1.942 CCC(C)CCOCc1cncc(c1)C f11e831230ab76ce7321b41692c7e513 [0,1,1,0,0,0|2,0,0]=4 1709 B15R1.942 CCC(C)CCOCc1cncc(c1)Cl a417eb6a1200be25fceab9bb0ff5ff98 [0,1,1,0,0,0|2,0,0]=4 1710 B15R1.942 CCC(C)CCOCc1cncc(c1)F 3aad40917191fb46c1eb0dac1405458a [0,1,1,0,0,0|2,0,0]=4 1711 B15R1.942 CCC(C)CCOCc1cncc(c1)I c238c33895f4a42dec495f78d7ed5432 [0,1,1,0,0,0|2,0,0]=4 1712 B15R1.942 CCC(S)CCOCc1cccc(c1)Br d84adbdc29dc190ce0bc4433aa7b8539 [0,1,1,0,0,0|2,0,0]=4 1713 B15R1.942 CCC(S)CCOCc1cccc(c1)C fa03dd9dae7fdb5a4b66a73a8e26020a [0,1,1,0,0,0|2,0,0]=4 1714 B15R1.942 CCC(S)CCOCc1cccc(c1)Cl 6f873c5ba785d6e8a8825ce6b8086b11 [0,1,1,0,0,0|2,0,0]=4 1715 B15R1.942 CCC(S)CCOCc1cccc(c1)F 09e07c5a87c87de31cd73dbd31afba95 [0,1,1,0,0,0|2,0,0]=4 1716 B15R1.942 CCC(S)CCOCc1cccc(c1)I a6910aa349981580fce5172a5898c20e [0,1,1,0,0,0|2,0,0]=4 1717 B15R1.942 CCN(C)CCCCc1cccc(c1)Br aab4f4fde4df6b3bdbb7b9ebd9b0cb20 [0,1,1,0,0,0|1,0,0]=3 1718 B15R1.942 CCN(C)CCCCc1cccc(c1)C 78060ad7fb0c106b1893986991bf7a99 [0,1,1,0,0,0|1,0,0]=3 1719 B15R1.942 CCN(C)CCCCc1cccc(c1)Cl 822bbc496b2bb0399af07dc92a78add0 [0,1,1,0,0,0|1,0,0]=3 1720 B15R1.942 CCN(C)CCCCc1cccc(c1)F 5567d3b7e8f6e748fc5070a1d93635c9 [0,1,1,0,0,0|1,0,0]=3 1721 B15R1.942 CCN(C)CCCNc1cccc(c1)C 1ca790e6fb57c8b5c851c4e61a78da8a [0,1,1,0,0,0|2,0,0]=4 1722 B15R1.942 CCN(C)CCCNc1cccc(c1)F 6ccb5ab4e32db129ba657b2a87046b68 [0,1,1,0,0,0|2,0,0]=4 1723 B15R1.942 CCN(C)CCCNc1cccc(c1)S e828324fe014dd5b17b8010067fcf0af [0,1,1,0,0,0|2,0,0]=4 1724 B15R1.942 CCN(C)CCCOc1cccc(c1)Br 96d79b4d36025e67188c39bc8e9ff5b8 [0,1,1,0,0,0|2,0,0]=4 1725 B15R1.942 CCN(C)CCCOc1cccc(c1)C ad3de2a4c635ad069c6007089cc37ddf [0,1,1,0,0,0|2,0,0]=4 1726 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 8fddbb05b4bfb660daa9c88da22d6a0b [0,1,1,0,0,0|2,0,0]=4 1727 B15R1.942 CCS(=O)CCOCc1cccc(c1)Br adcf6b8e33178b68147ddd2a5e54d31f [0,1,1,0,0,0|2,0,0]=4 1728 B15R1.942 CCS(=O)CCOCc1cccc(c1)C 3fdad2de7de7a00096f7a4c4d6643839 [0,1,1,0,0,0|2,0,0]=4 1729 B15R1.942 CCS(=O)CCOCc1cccc(c1)Cl 6718d958ed708f07db7277db79432ce8 [0,1,1,0,0,0|2,0,0]=4 1730 B15R1.942 CCS(=O)CCOCc1cccc(c1)F 5789841e1a7d8d89a03100a598b63355 [0,1,1,0,0,0|2,0,0]=4 1731 B15R1.942 CCS(=O)CCOCc1cccc(c1)I d98e4664edbf2b60f185f7201a589fc7 [0,1,1,0,0,0|2,0,0]=4 1732 B15R1.942 CC[C@H](C)CCOCc1cc(ccn1)Br 1ce147a57ee28df80f0bc627155f652c [0,1,1,0,0,0|2,0,0]=4 1733 B15R1.942 CC[C@H](C)CCOCc1cc(ccn1)C 10a987ffb80fdce7f51f0491112d965e [0,1,1,0,0,0|2,0,0]=4 1734 B15R1.942 CC[C@H](C)CCOCc1cc(ccn1)Cl b741bd5ae988b4b818ecbabf066ce1e2 [0,1,1,0,0,0|2,0,0]=4 1735 B15R1.942 CC[C@H](C)CCOCc1cc[nH]c(=O)c1 ceec674459592045cba8680d86c2188a [0,1,1,0,0,0|2,0,0]=4 1736 B15R1.942 CC[C@H](C)CCOCc1cccc(c1)Br 1145b81739b1d50c69b6d9d2e910f485 [0,1,1,0,0,0|1,0,0]=3 1737 B15R1.942 CC[C@H](C)CCOCc1cccc(c1)C 80dc49107e72e1db3ccc4d61e2eb8b92 [0,1,1,0,0,0|1,0,0]=3 1738 B15R1.942 CC[C@H](C)CCOCc1cccc(c1)Cl afcb2fe3a79d7b2a81f9c7997f3d213d [0,1,1,0,0,0|1,0,0]=3 1739 B15R1.942 CC[C@H](C)CCOCc1cccc(c1)F e9f358911d009b7fed13d9b88edfcc15 [0,1,1,0,0,0|1,0,0]=3 1740 B15R1.942 CC[C@H](C)CCOCc1cccc(c1)I 84b2cb04a41ad5d3a368bff3916ea952 [0,1,1,0,0,0|1,0,0]=3 1741 B15R1.942 CC[C@H](C)CCOCc1cccc(n1)Br ccf4c3e6228156cf1d72ff40727b951b [0,1,1,0,0,0|2,0,0]=4 1742 B15R1.942 CC[C@H](C)CCOCc1cccc(n1)C 66a725eef65e4a78166feded12a14822 [0,1,1,0,0,0|2,0,0]=4 1743 B15R1.942 CC[C@H](C)CCOCc1cccc(n1)Cl dc5d6167d263cd3eae7039a45e7d3e2d [0,1,1,0,0,0|2,0,0]=4 1744 B15R1.942 CC[C@H](C)CCOCc1cccc(n1)F 15f424edc1ca08292ba37d485497c4d9 [0,1,1,0,0,0|2,0,0]=4 1745 B15R1.942 CC[C@H](C)CCOCc1ccnc(c1)Br 76391bd313e768eeebf710d4ed10092c [0,1,1,0,0,0|2,0,0]=4 1746 B15R1.942 CC[C@H](C)CCOCc1ccnc(c1)C 8b5a69bb7c4db4d9219e1b5c6d3378d0 [0,1,1,0,0,0|2,0,0]=4 1747 B15R1.942 CC[C@H](C)CCOCc1ccnc(c1)Cl 65acf77c8035450187db898d185f5c38 [0,1,1,0,0,0|2,0,0]=4 1748 B15R1.942 CC[C@H](C)CCOCc1ccnc(c1)F d301620124e9e4a98045381e98c9f083 [0,1,1,0,0,0|2,0,0]=4 1749 B15R1.942 CC[C@H](C)CCOCc1cncc(c1)Br b57bf4fd13e38a95861d4ccfbf161d1c [0,1,1,0,0,0|2,0,0]=4 1750 B15R1.942 CC[C@H](C)CCOCc1cncc(c1)Cl e272b3ae38a0dbf38475ab379c35c0d0 [0,1,1,0,0,0|2,0,0]=4 1751 B15R1.942 CC[C@H](C)CCOCc1cncc(c1)F ecc8fcf27a8f6be99ea12d2af5b30e96 [0,1,1,0,0,0|2,0,0]=4 1752 B15R1.942 CN(C#N)CCOCc1cccc(c1)Br e36c6b5dfa2f796ef82687de33ee2d00 [0,1,1,0,0,0|1,0,1]=4 1753 B15R1.942 CN(C#N)CCOCc1cccc(c1)Cl 68b967e587fdd8f46fa156f2f0ec12d0 [0,1,1,0,0,0|1,0,1]=4 1754 B15R1.942 CN(C#N)CCOCc1cccc(c1)F 8d6bd393ff41f06c6509fdf30388f694 [0,1,1,0,0,0|1,0,1]=4 1755 B15R1.942 CN(C#N)CCOCc1cccc(c1)I f977019a15d262e10d33fb0f521d57de [0,1,1,0,0,0|1,0,1]=4 1756 B15R1.942 CN(C=O)CCOCc1cccc(c1)Br 54e50d53f63446c628f1f984df78077d [0,1,1,0,0,0|1,0,1]=4 1757 B15R1.942 CN(C=O)CCOCc1cccc(c1)Cl 130953e201f9bf07953c6c9203d632ed [0,1,1,0,0,0|1,0,1]=4 1758 B15R1.942 CN(C=O)CCOCc1cccc(c1)F 1a5da63dc0a132096c8c25e019bd4486 [0,1,1,0,0,0|1,0,1]=4 1759 B15R1.942 CN(C=O)CCOCc1cccc(c1)I edc7dc032c25e085c6cab8e47203e7d0 [0,1,1,0,0,0|1,0,1]=4 1760 B15R1.942 COC(C)CCOCc1cccc(c1)Br 3bff870416f673f42b4a50e33f387686 [0,1,1,0,0,0|2,0,0]=4 1761 B15R1.942 COC(C)CCOCc1cccc(c1)C 895de194e9b5add25c40fc1e00a7dcc8 [0,1,1,0,0,0|2,0,0]=4 1762 B15R1.942 COC(C)CCOCc1cccc(c1)Cl 31fb90edf1fa3b817617d8eefe129872 [0,1,1,0,0,0|2,0,0]=4 1763 B15R1.942 COC(C)CCOCc1cccc(c1)F 7b8447c99d2a040f05e74c1960ca552e [0,1,1,0,0,0|2,0,0]=4 1764 B15R1.942 COC(C)CCOCc1cccc(c1)I 97b5f784a369c86e72f3803f6fa992fc [0,1,1,0,0,0|2,0,0]=4 1765 B15R1.942 Cc1cccc(c1)COCCN(C)C#N 6be114463d31e8393b3f36685ebc091a [0,1,1,0,0,0|1,0,1]=4 1766 B15R1.942 Cc1cccc(c1)COCCN(C)C=O 3b958dcd2223df5b1ac128c0ab204891 [0,1,1,0,0,0|1,0,1]=4 1767 B15R1.959 CCC(C)CCNC(C)c1ccccc1 83cc65dacd1e6a796f7abab86ee4a0f1 [0,1,1,0,0,0|2,0,0]=4 1768 B15R1.959 CCC(C)CCN[C@@H](C)c1ccccc1 0d90a123acd2a28c732a46deb8c04fdb [0,1,1,0,0,0|2,0,0]=4 1769 B15R1.959 CCC(C)CCN[C@H](C)c1ccccc1 9adaee7ed9dcc85c58814d16fd18b703 [0,1,1,0,0,0|2,0,0]=4 1770 B15R1.959 CCC(C)CCOC(C)c1ccccc1 33cac763a8283f636dd16eddda362b30 [0,1,1,0,0,0|1,0,0]=3 1771 B15R1.959 CCC(C)CCOC(C)c1ccccn1 a9bacb166739ddcacd61e504cf06aad8 [0,1,1,0,0,0|2,0,0]=4 1772 B15R1.959 CCC(C)CCOC(C)c1cccnc1 64dc775019fea25d62eaca733e895efd [0,1,1,0,0,0|2,0,0]=4 1773 B15R1.959 CCC(C)CCOC(C)c1ccncc1 b0476491f1670e630b1f14a3b82bbaa4 [0,1,1,0,0,0|2,0,0]=4 1774 B15R1.959 CCC(C)CCO[C@@H](C)c1ccccc1 c6ef88c191d025ee68af4543643b88f5 [0,1,1,0,0,0|1,0,0]=3 1775 B15R1.959 CCC(C)CCO[C@@H](C)c1ccccn1 6cde1ca6f18e154b971e8249743e19b7 [0,1,1,0,0,0|2,0,0]=4 1776 B15R1.959 CCC(C)CCO[C@@H](C)c1cccnc1 a79de7fdbf9a7d2eac3a0d70832de264 [0,1,1,0,0,0|2,0,0]=4 1777 B15R1.959 CCC(C)CCO[C@@H](C)c1ccncc1 c2ae2089a3a3025f081bd5ebcd4593a2 [0,1,1,0,0,0|2,0,0]=4 1778 B15R1.959 CCC(C)CCO[C@H](C)c1ccccc1 abb7931ab6a8705db13fd02c5f9ca61c [0,1,1,0,0,0|1,0,0]=3 1779 B15R1.959 CCC(C)CCO[C@H](C)c1ccccn1 690698821ebd9eb6ce957f741b4cfb5d [0,1,1,0,0,0|2,0,0]=4 1780 B15R1.959 CCC(C)CCO[C@H](C)c1cccnc1 fa6398cc9e9ce688e40f5bcd5d803abb [0,1,1,0,0,0|2,0,0]=4 1781 B15R1.959 CCC(C)CCO[C@H](C)c1ccncc1 2c4f4138b94ede0e940aa7ad1675d7b8 [0,1,1,0,0,0|2,0,0]=4 1782 B15R1.959 CCN(C)CCOC(=O)c1ccccc1 c8c155651adaf7773bbbb576fb24cdf2 [0,1,1,0,0,0|0,0,1]=3 1783 B15R1.964 CCC(C)CCN(C)Cc1ccccc1 cd3cac84ff36b79edc2edb70648ea8af [0,1,1,0,0,0|2,0,0]=4 1784 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 db945cec99ddbc26e03ec28112a7b712 [0,1,1,0,0,0|1,0,0]=3 1785 B15R1.964 CCN(C)CCN(C)Cc1ccccn1 c13859f90e2fadcc48650993192caa2c [0,1,1,0,0,0|2,0,0]=4 1786 B15R1.964 CCN(C)CCN(C)Cc1cccnc1 ed6ff7a81df9ee9afea7beadc53743f0 [0,1,1,0,0,0|2,0,0]=4 1787 B15R1.964 CN(CF)CCN(C)Cc1ccccc1 b406ec6b1070070521b4e83a8c18d464 [0,1,1,0,0,0|2,0,0]=4 1788 B15R1.964 CN(CO)CCN(C)Cc1ccccc1 bc0a45d326b539f16c20d0f63a64bfab [0,1,1,0,0,0|2,0,0]=4 1789 B15R1.1091 CCC(C)CCNCc1ccccc1Br ffce9aa864d2c65e03cb6d89a0324776 [0,1,1,0,0,0|2,0,0]=4 1790 B15R1.1091 CCC(C)CCNCc1ccccc1C 25df4780805fdcd78c1033e8ac17fb01 [0,1,1,0,0,0|2,0,0]=4 1791 B15R1.1091 CCC(C)CCNCc1ccccc1Cl bacde1f212b0d0efebd194809d4bb9ff [0,1,1,0,0,0|2,0,0]=4 1792 B15R1.1091 CCC(C)CCNCc1ccccc1F 576ef2171da000c18c5b4618e43e81d0 [0,1,1,0,0,0|2,0,0]=4 1793 B15R1.1091 CCC(C)CCNCc1ccccc1I e08c682886b7463d93373b0ba551e108 [0,1,1,0,0,0|2,0,0]=4 1794 B15R1.1091 CCC(C)CCOCc1ccc[nH]c1=O 9b3d62585af0f2c6037b0486fb51df4c [0,1,1,0,0,0|2,0,0]=4 1795 B15R1.1091 CCC(C)CCOCc1cccc[n+]1[O-] 9df72f06872586059be52d0ad6ad91a6 [0,1,1,0,0,0|2,0,0]=4 1796 B15R1.1091 CCC(C)CCOCc1ccccc1Br ce58a6055ee1a1fc37401b461343f842 [0,1,1,0,0,0|1,0,0]=3 1797 B15R1.1091 CCC(C)CCOCc1ccccc1C 4b01d1551ef327588c822dcf5dfd2f6f [0,1,1,0,0,0|1,0,0]=3 1798 B15R1.1091 CCC(C)CCOCc1ccccc1Cl ca251d804f3bc3d0471a095956495ffa [0,1,1,0,0,0|1,0,0]=3 1799 B15R1.1091 CCC(C)CCOCc1ccccc1F 2b3eeda3cc4e18b2108f87f0ed90886b [0,1,1,0,0,0|1,0,0]=3 1800 B15R1.1091 CCC(C)CCOCc1ccccc1I 9f3f2807bded845be8d6b972cb51ccf0 [0,1,1,0,0,0|1,0,0]=3 1801 B15R1.1091 CCC(C)CCOCc1ccccc1S b067fd9f335176c267a54542749afac8 [0,1,1,0,0,0|1,0,0]=3 1802 B15R1.1091 CCC(C)CCOCc1cccnc1Br 7fe1ea3fdfb6780ead3ed9197fd9026b [0,1,1,0,0,0|2,0,0]=4 1803 B15R1.1091 CCC(C)CCOCc1cccnc1C 8b539959577ed624f7350f4de06b9aa3 [0,1,1,0,0,0|2,0,0]=4 1804 B15R1.1091 CCC(C)CCOCc1cccnc1Cl f34642f0793ce2951edf54be11ced26f [0,1,1,0,0,0|2,0,0]=4 1805 B15R1.1091 CCC(C)CCOCc1cccnc1F 8b0d00afd90213b3fe64eb3245809cba [0,1,1,0,0,0|2,0,0]=4 1806 B15R1.1091 CCC(C)CCOCc1ccncc1Br b7a7914ebea2cc0f68cd8f13909197c4 [0,1,1,0,0,0|2,0,0]=4 1807 B15R1.1091 CCC(C)CCOCc1ccncc1C 1cf64fc64e645236024ba18dedf607c7 [0,1,1,0,0,0|2,0,0]=4 1808 B15R1.1091 CCC(C)CCOCc1ccncc1Cl eb949b0368fa8f3df4f08eae9557ef67 [0,1,1,0,0,0|2,0,0]=4 1809 B15R1.1091 CCC(C)CCOCc1ccncc1F d0b3b1617478aacacf1f98c9337e6d4a [0,1,1,0,0,0|2,0,0]=4 1810 B15R1.1091 CCC(C)CCOCc1ccncc1I 4bbce30e5b4b15fa0c13b176ae17cf00 [0,1,1,0,0,0|2,0,0]=4 1811 B15R1.1091 CCC(C)CCOCc1cnccc1Br 044c8290a7b4b28931fc21e59480a8cc [0,1,1,0,0,0|2,0,0]=4 1812 B15R1.1091 CCC(C)CCOCc1cnccc1C c444d0b75b37adfe3add8fdfb1de2320 [0,1,1,0,0,0|2,0,0]=4 1813 B15R1.1091 CCC(C)CCOCc1cnccc1Cl b9522a2bff85583298cc385e9920345f [0,1,1,0,0,0|2,0,0]=4 1814 B15R1.1091 CCC(C)CCOCc1cnccc1F 269788702ee4ca395fe755f203cf2d91 [0,1,1,0,0,0|2,0,0]=4 1815 B15R1.1091 CCC(C)CCOCc1ncccc1Br ca2670e76996c8fa2eedaea73de7f966 [0,1,1,0,0,0|2,0,0]=4 1816 B15R1.1091 CCC(C)CCOCc1ncccc1C d360b5021a50d903fd357b6528312306 [0,1,1,0,0,0|2,0,0]=4 1817 B15R1.1091 CCC(C)CCOCc1ncccc1Cl be237055c6447fafecc6c58fc0c43c3d [0,1,1,0,0,0|2,0,0]=4 1818 B15R1.1091 CCC(C)CCOCc1ncccc1F 87a1d24907c365638d01e3f92a1acea1 [0,1,1,0,0,0|2,0,0]=4 1819 B15R1.1091 CCC(S)CCOCc1ccccc1Br 688ceabec055443fe422bb595940f75a [0,1,1,0,0,0|2,0,0]=4 1820 B15R1.1091 CCC(S)CCOCc1ccccc1C cf8b42bd1016364eec845471b3e60ef2 [0,1,1,0,0,0|2,0,0]=4 1821 B15R1.1091 CCC(S)CCOCc1ccccc1Cl 5d17c64f3232ae535156e1108db4e07e [0,1,1,0,0,0|2,0,0]=4 1822 B15R1.1091 CCC(S)CCOCc1ccccc1F 5750bc1c785e145c40e00e5a4dbbd9f2 [0,1,1,0,0,0|2,0,0]=4 1823 B15R1.1091 CCC(S)CCOCc1ccccc1I f4741c4543146a96f43de35bbee467ee [0,1,1,0,0,0|2,0,0]=4 1824 B15R1.1091 CCN(C)CCCCc1ccccc1F 4565130e4feeabfd110fb9b80f6d1318 [0,1,1,0,0,0|1,0,0]=3 1825 B15R1.1091 CCN(C)CCCNc1ccccc1C 72f4457e44e43e0e048b6235d09fd643 [0,1,1,0,0,0|2,0,0]=4 1826 B15R1.1091 CCN(C)CCCNc1ccccc1F 43f9934575217e30bc348e82be331dc9 [0,1,1,0,0,0|2,0,0]=4 1827 B15R1.1091 CCN(C)CCCNc1ccccc1S 24943cd66d0a336c4c40fd8bffad7136 [0,1,1,0,0,0|2,0,0]=4 1828 B15R1.1091 CCN(C)CCCOc1ccccc1C 5d3d32a7c1dde4caa38e6607ada7cddb [0,1,1,0,0,0|2,0,0]=4 1829 B15R1.1091 CCN(C)CCCOc1ccccc1Cl db007009a0a1880a36fbf61735c7db69 [0,1,1,0,0,0|2,0,0]=4 1830 B15R1.1091 CCN(C)CCCOc1ccccc1F d89a8a0f159d5e0410f567cf942887e7 [0,1,1,0,0,0|2,0,0]=4 1831 B15R1.1091 CCS(=O)CCOCc1ccccc1Cl a2f3738b175a9122bfe91079662d21aa [0,1,1,0,0,0|2,0,0]=4 1832 B15R1.1091 CCS(=O)CCOCc1ccccc1I 25797f2ede21474902c56e18c6a13eaa [0,1,1,0,0,0|2,0,0]=4 1833 B15R1.1091 CC[C@H](C)CCOCc1cccc[n+]1[O-] 06a1e6099e63a9ce01c158b5c6264cce [0,1,1,0,0,0|2,0,0]=4 1834 B15R1.1091 CC[C@H](C)CCOCc1ccccc1C 63916feeec4839741ebf14a08c39a319 [0,1,1,0,0,0|1,0,0]=3 1835 B15R1.1091 CC[C@H](C)CCOCc1ccccc1Cl 6ffdb465f7932e40dbdcea4b539ee291 [0,1,1,0,0,0|1,0,0]=3 1836 B15R1.1091 CC[C@H](C)CCOCc1ccccc1F 78b1c1ca794c1b20d23c61dee904b52d [0,1,1,0,0,0|1,0,0]=3 1837 B15R1.1091 CC[C@H](C)CCOCc1ccccc1I 7db91f7b1097cd577fa83f464bc77624 [0,1,1,0,0,0|1,0,0]=3 1838 B15R1.1091 CC[C@H](C)CCOCc1cccnc1Br e0bc3c7a6e429dcd4cb0cc96e1720563 [0,1,1,0,0,0|2,0,0]=4 1839 B15R1.1091 CC[C@H](C)CCOCc1cccnc1C 172bfb5cbf3ba4fc2beee052b4edba83 [0,1,1,0,0,0|2,0,0]=4 1840 B15R1.1091 CC[C@H](C)CCOCc1cccnc1Cl 52d0521ddd66eecff389b43002beed05 [0,1,1,0,0,0|2,0,0]=4 1841 B15R1.1091 CC[C@H](C)CCOCc1cccnc1F 28cd80d8d61b7c4de44e56e791b69869 [0,1,1,0,0,0|2,0,0]=4 1842 B15R1.1091 CC[C@H](C)CCOCc1ccncc1Cl f21fb692f3fdff2f1c199b1bc6f3a4bb [0,1,1,0,0,0|2,0,0]=4 1843 B15R1.1091 CC[C@H](C)CCOCc1ccncc1F dbaf9fe15878446c0f818247ba5601a8 [0,1,1,0,0,0|2,0,0]=4 1844 B15R1.1091 CC[C@H](C)CCOCc1ncccc1Br cbe042297388e6cbcb452f8d76bcb857 [0,1,1,0,0,0|2,0,0]=4 1845 B15R1.1091 CC[C@H](C)CCOCc1ncccc1C 00b488c078fd9415dcb48a6671ea9ed0 [0,1,1,0,0,0|2,0,0]=4 1846 B15R1.1091 CC[C@H](C)CCOCc1ncccc1Cl ebc9c0dc78e0f9ad07291fe979bacb01 [0,1,1,0,0,0|2,0,0]=4 1847 B15R1.1091 CC[C@H](C)CCOCc1ncccc1F e1a3076ecf22571a07961237eac5f14a [0,1,1,0,0,0|2,0,0]=4 1848 B15R1.1091 CN(C#N)CCOCc1ccccc1Cl ccf4d4bca6a7fc924174cf6b1716bc38 [0,1,1,0,0,0|1,0,1]=4 1849 B15R1.1091 CN(C#N)CCOCc1ccccc1F 121f3bc220ad212d0b19e424757c22dc [0,1,1,0,0,0|1,0,1]=4 1850 B15R1.1091 CN(C#N)CCOCc1ccccc1I 951bd4996cf91838258e30ee0451c411 [0,1,1,0,0,0|1,0,1]=4 1851 B15R1.1091 CN(C=O)CCOCc1ccccc1Br 21b7d33d588cd7ea64193fb5376a2856 [0,1,1,0,0,0|1,0,1]=4 1852 B15R1.1091 CN(C=O)CCOCc1ccccc1Cl 0199b29e34a929016779209b83541662 [0,1,1,0,0,0|1,0,1]=4 1853 B15R1.1091 CN(C=O)CCOCc1ccccc1F 57280747675b815929cb23a86116c477 [0,1,1,0,0,0|1,0,1]=4 1854 B15R1.1091 CN(C=O)CCOCc1ccccc1I 8cd0c0c25513d0104ba6db7c0dc187ba [0,1,1,0,0,0|1,0,1]=4 1855 B15R1.1091 COC(C)CCOCc1ccccc1C 947d9aa19c77f4ef1479ab02420e0ebc [0,1,1,0,0,0|2,0,0]=4 1856 B15R1.1091 COC(C)CCOCc1ccccc1Cl d855a446e1e9885129c31551fe2d4d29 [0,1,1,0,0,0|2,0,0]=4 1857 B15R1.1091 COC(C)CCOCc1ccccc1F 43c54130b380716de43b4ba5d86ab822 [0,1,1,0,0,0|2,0,0]=4 1858 B15R1.1091 COC(C)CCOCc1ccccc1I f593264fed9b8ec327cf210ed15bf473 [0,1,1,0,0,0|2,0,0]=4 1859 B15R1.1091 Cc1ccccc1COCCN(C)C#N 809d268908e899f83775144895486de0 [0,1,1,0,0,0|1,0,1]=4 1860 B15R1.1091 Cc1ccccc1COCCN(C)C=O ede8b895e73f8817c6e1c4accb31b2e8 [0,1,1,0,0,0|1,0,1]=4 1861 B15R1.1321 CCC(S)C(C)COCc1ccccc1 17426ca942c0a04085cff96176e7bd4c [0,1,1,0,0,0|2,0,0]=4 1862 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 c54c68290b2eb80d2412c9b786882caa [0,1,1,0,0,0|1,0,1]=4 1863 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 0389535265d6b4b3e9ce1dd32773e2a2 [0,1,1,0,0,0|1,0,1]=4 1864 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 0101d8ba2ce85ed8f6b7d44e5028ca2b [0,1,1,0,0,0|0,0,1]=3 1865 B15R1.1321 CCN(C)C(=O)COCc1ccccn1 46d3ed1eb962d1f335210a336fc8fdf1 [0,1,1,0,0,0|1,0,1]=4 1866 B15R1.1321 CCN(C)C(=O)COCc1cccnc1 e2cb7dbd25f9f6f59bd79efb50d71b11 [0,1,1,0,0,0|1,0,1]=4 1867 B15R1.1321 CCN(C)C(=O)COCc1ccncc1 87d2ddef3ad9974b30436c43bc53bd2a [0,1,1,0,0,0|1,0,1]=4 1868 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 5fd18ff3e048c06ac2e271d2a56a5dc9 [0,1,1,0,0,0|0,1,1]=4 1869 B15R1.1321 CCN(C)C(C)CCNc1ccccc1 fb1584620d88a340a9d789c474bbeb38 [0,1,1,0,0,0|2,0,0]=4 1870 B15R1.1321 CCN(C)C(C)COCc1ccccc1 694650dc58f52e1c4a7d6880c0b77d57 [0,1,1,0,0,0|0,0,0]=2 1871 B15R1.1321 CCN(C)C(C)COCc1ccccn1 5320e541bcbee21260a3ec444965f1dd [0,1,1,0,0,0|1,0,0]=3 1872 B15R1.1321 CCN(C)C(C)COCc1cccnc1 cc7e0b475509c4266532bd924a5f9e03 [0,1,1,0,0,0|1,0,0]=3 1873 B15R1.1321 CCN(C)C(C)COCc1cccnn1 41779c0062a79815f3d8424698fa5c49 [0,1,1,0,0,0|2,0,0]=4 1874 B15R1.1321 CCN(C)C(C)COCc1ccncn1 d003ee2d569a2f39098a263a4679842b [0,1,1,0,0,0|2,0,0]=4 1875 B15R1.1321 CCN(C)C(C)COCc1cncnc1 100421bc675bcb53a201adb1954e71f6 [0,1,1,0,0,0|2,0,0]=4 1876 B15R1.1321 CCN(C)C(C)COCc1ncccn1 900843a967a10276d01f6ce2c0b018ff [0,1,1,0,0,0|2,0,0]=4 1877 B15R1.1321 CCN(C)[C@@H](C)COCc1ccccc1 846f395bf5229d336deb42bb0bab07c9 [0,1,1,0,0,0|0,0,0]=2 1878 B15R1.1321 CCN(C)[C@@H](C)COCc1ccccn1 00c84dee3475f492ac1e40ba053d48aa [0,1,1,0,0,0|1,0,0]=3 1879 B15R1.1321 CCN(C)[C@@H](C)COCc1cccnc1 245429bb94e8f9d36508d2d48a0fdfe2 [0,1,1,0,0,0|1,0,0]=3 1880 B15R1.1321 CCN(C)[C@@H](C)COCc1cccnn1 1ba8b5933b1dd846d1204e6e712be51c [0,1,1,0,0,0|2,0,0]=4 1881 B15R1.1321 CCN(C)[C@@H](C)COCc1ccncn1 20911762885d4edce2e521fd10e59dbe [0,1,1,0,0,0|2,0,0]=4 1882 B15R1.1321 CCN(C)[C@@H](C)COCc1cncnc1 321988f12af509957d9957635d1bdbef [0,1,1,0,0,0|2,0,0]=4 1883 B15R1.1321 CCN(C)[C@@H](C)COCc1ncccn1 637af3eb55d3e1eac1b9f9de6c158538 [0,1,1,0,0,0|2,0,0]=4 1884 B15R1.1321 CCN(C)[C@H](C)COCc1ccccc1 ecc61d80123c8833bdb04ed1862f7f49 [0,1,1,0,0,0|0,0,0]=2 1885 B15R1.1321 CCN(C)[C@H](C)COCc1ccccn1 3d59cb092e9760c39aa34de308f08d1a [0,1,1,0,0,0|1,0,0]=3 1886 B15R1.1321 CCN(C)[C@H](C)COCc1cccnc1 612c53b89b01cb7daf93f6494c5699c5 [0,1,1,0,0,0|1,0,0]=3 1887 B15R1.1321 CCN(C)[C@H](C)COCc1cccnn1 caef2a771901fa32bb0dbc3d8294fe02 [0,1,1,0,0,0|2,0,0]=4 1888 B15R1.1321 CCN(C)[C@H](C)COCc1ccncn1 1329f22317a46186000b12fb043f2e0d [0,1,1,0,0,0|2,0,0]=4 1889 B15R1.1321 CCN(C)[C@H](C)COCc1cncnc1 2000eacb71da2e4d7666f428f712411f [0,1,1,0,0,0|2,0,0]=4 1890 B15R1.1321 CCN(C)[C@H](C)COCc1ncccn1 4f8fa6d0a6269935bfd75356de7e7d0d [0,1,1,0,0,0|2,0,0]=4 1891 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 db1db679951a69c5e7182ad02331823c [0,1,1,0,0,0|1,0,1]=4 1892 B15R1.3664 CC(=O)N(C)CCOCc1ccccc1 b519ba45c699a486fceec8ea02eb3add [0,1,1,0,0,0|0,0,1]=3 1893 B15R1.3664 CC(=O)N(C)CCOCc1ccccn1 1daca951f0ca56165aec24e6171a7c8e [0,1,1,0,0,0|1,0,1]=4 1894 B15R1.3664 CC(=O)N(C)CCOCc1cccnc1 f7654c4b48a2ffd525f8067c3722f633 [0,1,1,0,0,0|1,0,1]=4 1895 B15R1.3664 CC(C)C(C)CCOCc1ccccc1 209e4b0c36c2c6ece99c3b5c3f77b5d1 [0,1,1,0,0,0|1,0,0]=3 1896 B15R1.3664 CC(C)C(C)CCOCc1ccccn1 a1def3eb4ab3ce77c4ecd9033b2d4037 [0,1,1,0,0,0|2,0,0]=4 1897 B15R1.3664 CC(C)C(C)CCOCc1cccnc1 e058f71110c87683867fa3cc2c2d3da4 [0,1,1,0,0,0|2,0,0]=4 1898 B15R1.3664 CC(C)N(C)CCCCc1ccccc1 ed5915d1dccfedf10d3a67ef923e129b [0,1,1,0,0,0|1,0,0]=3 1899 B15R1.3664 CC(C)N(C)CCCOc1ccccc1 12139823690b6c5ca2134e7fef6efc72 [0,1,1,0,0,0|2,0,0]=4 1900 B15R1.3664 CC(C)N(C)CCNCc1ccccc1 21232e18a9e02a9a61c28cc636ad57fc [0,1,1,0,0,0|1,0,0]=3 1901 B15R1.3664 CC(C)N(C)CCNCc1ccccn1 b83c2cf12bdaa76758b8544632fc0933 [0,1,1,0,0,0|2,0,0]=4 1902 B15R1.3664 CC(C)N(C)CCNCc1cccnc1 464c64562ad94e9c3b2042a2b7c01d44 [0,1,1,0,0,0|2,0,0]=4 1903 B15R1.3664 CC(C)N(C)CCOCc1ccccc1 e6de67e0c2fbd43b09ba044c8ae3650d [0,1,1,0,0,0|0,0,0]=2 1904 B15R1.3664 CC(C)N(C)CCSCc1ccccc1 29750288e4db040df521fd19fa097b6a [0,1,1,0,0,0|0,1,0]=3 1905 B15R1.3664 CC(CCOCc1ccccc1)N(C)C b5075fbb907b3d3439ebcd6140fe6482 [0,1,1,0,0,0|2,0,0]=4 1906 B15R1.3664 CC(O)C(C)NCOCc1ccccc1 3743bbd9577eaa167a7522419bc229d7 [0,1,1,0,0,0|2,0,0]=4 1907 B15R2.17 CCN1CCCC(C1)c2ccccc2 b7060b1f27f2126394f6563eecb2b441 [1,1,0,0,0,0|1,0,0]=3 1908 B15R2.17 CCN1CCCC(C1)c2ccccn2 1d35e8a2464bcd4dec1b730857eaca80 [1,1,0,0,0,0|2,0,0]=4 1909 B15R2.17 CCN1CCCC(C1)c2cccnc2 15a74197cc0c71fb73002cf6ae13cc66 [1,1,0,0,0,0|2,0,0]=4 1910 B15R2.17 CCN1CCC[C@@H](C1)c2ccccc2 349f603ae6bf9c09414007dca5b417e9 [1,1,0,0,0,0|1,0,0]=3 1911 B15R2.17 CCN1CCC[C@H](C1)c2ccccc2 179a203eb0c2443701e9dcd7ed5f14d4 [1,1,0,0,0,0|1,0,0]=3 1912 B15R2.17 CCN1CCOC(C1)c2ccccc2 89ace7bf190b9ea3ad37a9c9894e889b [1,1,0,0,0,0|0,0,0]=2 1913 B15R2.17 CCN1CCOC(C1)c2ccccn2 cbd8d61811ca9315c41ecc2d0e625618 [1,1,0,0,0,0|1,0,0]=3 1914 B15R2.17 CCN1CCOC(C1)c2cccnc2 abff95041e89982ac985ddc863eb7e0e [1,1,0,0,0,0|1,0,0]=3 1915 B15R2.17 CCN1CCOC(C1)c2ccncc2 6b4e5537f98376c2a354bc2078fa31c2 [1,1,0,0,0,0|1,0,0]=3 1916 B15R2.17 CCN1CCO[C@@H](C1)c2ccccc2 9c1f9e5022643d884462ecba20e994c0 [1,1,0,0,0,0|0,0,0]=2 1917 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 80501f4ffb7197b2f03f05b12be448d9 [1,1,0,0,0,0|0,0,0]=2 1918 B15R2.17 CCN1CCSC(C1)c2ccccc2 d8f9c7a0fc0f6a97cadd3d29020acffa [1,1,0,0,0,0|0,1,0]=3 1919 B15R2.17 CCN1CCSC(C1)c2cccnc2 1c186136b1c57be817dcc69cc7d07873 [1,1,0,0,0,0|1,1,0]=4 1920 B15R2.17 FCN1CCCC(C1)c2ccccc2 176dc77e18a109e5582fc0bf234af46d [1,1,0,0,0,0|1,0,0]=3 1921 B15R2.17 FCN1CCCC(C1)c2ccccn2 000a0b0e63e480c92eea09c2c44dd36d [1,1,0,0,0,0|2,0,0]=4 1922 B15R2.17 FCN1CCCC(C1)c2cccnc2 afb7ea946ad41f1fa8614492fd2758f7 [1,1,0,0,0,0|2,0,0]=4 1923 B15R2.17 FCN1CCC[C@@H](C1)c2ccccc2 d9f5178cdd7af4c76bb2098fd848ff89 [1,1,0,0,0,0|1,0,0]=3 1924 B15R2.17 FCN1CCC[C@H](C1)c2ccccc2 a7729639dea68a50089d8fe1c8061758 [1,1,0,0,0,0|1,0,0]=3 1925 B15R2.17 FCN1CCOC(C1)c2ccccc2 4c66a49510ae319860bb125891cc8cce [1,1,0,0,0,0|0,0,0]=2 1926 B15R2.17 FCN1CCOC(C1)c2ccccn2 eab18adb5dab87c3055ea525c3a0aabf [1,1,0,0,0,0|1,0,0]=3 1927 B15R2.17 FCN1CCOC(C1)c2cccnc2 0821795850617fb64537992f31418fb1 [1,1,0,0,0,0|1,0,0]=3 1928 B15R2.17 FCN1CCOC(C1)c2ccncc2 45c9e586948585405aec33e0b746754d [1,1,0,0,0,0|1,0,0]=3 1929 B15R2.17 FCN1CCO[C@@H](C1)c2ccccc2 099310c293006264cedb6f45ffd2846c [1,1,0,0,0,0|0,0,0]=2 1930 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 93e1fbdbc36d8434c64468bc93b07afb [1,1,0,0,0,0|0,0,0]=2 1931 B15R2.17 FCN1CCSC(C1)c2ccccc2 d9cb6e5ee877b90fbd23a6b9e501a77d [1,1,0,0,0,0|0,1,0]=3 1932 B15R2.17 FCN1CCSC(C1)c2cccnc2 5984e99bf85d52fe7a5e9ae8d1599e5d [1,1,0,0,0,0|1,1,0]=4 1933 B15R2.17 O=CN1CCCC(C1)c2ccccc2 c93d254d2cd6fcca80bc8cefc3fe3657 [1,1,0,0,0,0|1,0,1]=4 1934 B15R2.17 O=CN1CCC[C@@H](C1)c2ccccc2 7d2a70e600890d019807a694e0add59a [1,1,0,0,0,0|1,0,1]=4 1935 B15R2.17 O=CN1CCC[C@H](C1)c2ccccc2 ccc614e52cf5517a3a1ed59cd72bfb4a [1,1,0,0,0,0|1,0,1]=4 1936 B15R2.17 O=CN1CCOC(C1)c2ccccc2 5308487331fbe2e81297235b3e93df15 [1,1,0,0,0,0|0,0,1]=3 1937 B15R2.17 O=CN1CCOC(C1)c2ccccn2 fbd63cafd0f224bd71361f062b8b700d [1,1,0,0,0,0|1,0,1]=4 1938 B15R2.17 O=CN1CCOC(C1)c2cccnc2 11f12e2e19c0d1a7069e505a9894a231 [1,1,0,0,0,0|1,0,1]=4 1939 B15R2.17 O=CN1CCOC(C1)c2ccncc2 4784f89f8a652186ab496491854ea5a3 [1,1,0,0,0,0|1,0,1]=4 1940 B15R2.17 O=CN1CCO[C@@H](C1)c2ccccc2 a433f42932085e0671d1e7a6b8513d38 [1,1,0,0,0,0|0,0,1]=3 1941 B15R2.17 O=CN1CCO[C@H](C1)c2ccccc2 86b8dfb91cb8eac14891288ea9b8c5ce [1,1,0,0,0,0|0,0,1]=3 1942 B15R2.17 O=CN1CCSC(C1)c2ccccc2 1d3e0f8711b0895f97c9e3dc882678eb [1,1,0,0,0,0|0,1,1]=4 1943 B15R2.17 OCN1CCCC(C1)c2ccccc2 76e323117a9e4ddaad88557645200468 [1,1,0,0,0,0|1,0,0]=3 1944 B15R2.17 OCN1CCCC(C1)c2ccccn2 a1b26268487880237d205836b2915e24 [1,1,0,0,0,0|2,0,0]=4 1945 B15R2.17 OCN1CCCC(C1)c2cccnc2 256621bf01332d29a44844faa912c87b [1,1,0,0,0,0|2,0,0]=4 1946 B15R2.17 OCN1CCC[C@@H](C1)c2ccccc2 4ff8478ac8b093555db2f4abcd162e64 [1,1,0,0,0,0|1,0,0]=3 1947 B15R2.17 OCN1CCC[C@H](C1)c2ccccc2 00d6febab74e5a0bd6080735a83371ee [1,1,0,0,0,0|1,0,0]=3 1948 B15R2.17 OCN1CCOC(C1)c2ccccc2 c61ec68d43786dce0f5396e372360e8d [1,1,0,0,0,0|0,0,0]=2 1949 B15R2.17 OCN1CCOC(C1)c2ccccn2 3fb417cc65d794f19d108920881318e3 [1,1,0,0,0,0|1,0,0]=3 1950 B15R2.17 OCN1CCOC(C1)c2cccnc2 ad638361c7cab44c5c480eaaad4d09e3 [1,1,0,0,0,0|1,0,0]=3 1951 B15R2.17 OCN1CCOC(C1)c2ccncc2 784e26bc403292e6053977ed28076e7e [1,1,0,0,0,0|1,0,0]=3 1952 B15R2.17 OCN1CCO[C@@H](C1)c2ccccc2 80121aa06d5db6d0a9ba664bf987e557 [1,1,0,0,0,0|0,0,0]=2 1953 B15R2.17 OCN1CCO[C@H](C1)c2ccccc2 2f76bc2d923a8235b59e84fdbbd44657 [1,1,0,0,0,0|0,0,0]=2 1954 B15R2.17 OCN1CCSC(C1)c2cccnc2 1b40a65bd93025c49032249aaff61694 [1,1,0,0,0,0|1,1,0]=4 1955 B15R2.2349 C[C@H]1CCC(N1CF)c2ccccc2 0cf88c949ca732e8a24bffbf62066af4 [0,1,0,0,1,0|2,0,0]=4 1956 B15R2.2349 C[C@H]1CCC(N1CO)c2ccccc2 34b45ce5c40f77321ca36d52ade02ce0 [0,1,0,0,1,0|2,0,0]=4 1957 B17R2.476 CC1CCCC(C1C)Nc2ccc(cc2)F d6d6862270518c7dd0e86bdf20420985 [0,1,0,0,0,1|2,0,0]=4 1958 B17R2.476 CC1CCCC(C1C)Nc2ccc(cc2)S 30b48eb44c7e72bbe6d826ecbcf47c5b [0,1,0,0,0,1|2,0,0]=4 1959 B17R2.5119 Cc1ccccc1NC2CCCC(C2C)C 16e27d8b2bb1343efb8e235d5365cbbb [0,1,0,0,0,1|2,0,0]=4 1960 B17R2.41862 CC1CCCC(C1C)Nc2cccc(c2)F edc3aefd6717270a2d0a4273772fae7a [0,1,0,0,0,1|2,0,0]=4 1961 B17R2.41862 Cc1cccc(c1)NC2CCCC(C2C)C 5841dee5b539a1dc99638e2ffd214806 [0,1,0,0,0,1|2,0,0]=4 1962 B17R2.1794 CCC1C(OCCN1C=O)c2ccccc2 edf0b2bb6fea86f33bf2e9ad80989aa5 [0,2,0,0,0,0|0,0,1]=3 1963 B17R2.1794 CCC1C(OCCN1CC)c2ccccc2 649716e63ae7829cca6695b1b63b71e4 [0,2,0,0,0,0|0,0,0]=2 1964 B17R2.1794 CCC1C(OCCN1CF)c2ccccc2 51a4b53782a7e48e048b386e19c0ffeb [0,2,0,0,0,0|0,0,0]=2 1965 B17R2.1794 CCC1C(OCCN1CO)c2ccccc2 76dd5fedca4692c98ffd1b34a5680749 [0,2,0,0,0,0|0,0,0]=2 1966 B17R2.3127 CC1COC(C(N1CF)C)c2ccccc2 09869a1f945f5ed88a8631f6b2cef6fb [0,2,0,0,0,0|0,0,0]=2 1967 B17R2.3127 CC1COC(C(N1CO)C)c2ccccc2 d536bfc85db707236fec8911cd9f62ab [0,2,0,0,0,0|0,0,0]=2 1968 B17R2.3127 CCN1C(COC(C1C)c2ccccc2)C 18772c7f046e4cf3793af5ebad928ed7 [0,2,0,0,0,0|0,0,0]=2 1969 B15R2.45 OCCC1CCN1Cc2ccccc2 eb322fa66011aed2d88e130c8e7cc544 [0,0,1,1,0,0|2,0,0]=4 1970 B15R2.64 CC(Cc1ccccc1)N2CCSC2 7ca3acca0930eb1dd51cc08457f4cdfa [0,0,1,1,0,0|0,1,0]=3 1971 B15R2.64 CN(Cc1ccccc1)C2CCOC2 6a6b642f5f7efd755cd35e2fbffb228e [0,0,1,1,0,0|2,0,0]=4 1972 B15R2.64 CN(Cc1ccccc1)[C@@H]2CCOC2 996eae095a6aa4d2fc1a3cc218063321 [0,0,1,1,0,0|2,0,0]=4 1973 B15R2.64 CN(Cc1ccccc1)[C@H]2CCOC2 3e2a06cf72d404ecc1cf4e78f4a79f06 [0,0,1,1,0,0|2,0,0]=4 1974 B15R2.64 C[C@@H](Nc1ccccc1)C2CCOC2 549add3b5f6ab7fd831d5986d6b3d2bf [0,0,1,1,0,0|2,0,0]=4 1975 B15R2.325 C[C@@H]1C[C@@H](CN1Cc2ccccc2)O a71d3aac5b6dc2e4c8efdd999bd59aea [0,0,1,1,0,0|2,0,0]=4 1976 B15R2.325 C[C@@H]1C[C@H](CN1Cc2ccccc2)O 163d2fcfd3fde812fc35d9467862fcf4 [0,0,1,1,0,0|2,0,0]=4 1977 B15R2.325 C[C@H]1C[C@@H](CN1Cc2ccccc2)O 5aa1f9515e613798a9b4c31ab9958158 [0,0,1,1,0,0|2,0,0]=4 1978 B15R2.325 C[C@H]1C[C@H](CN1Cc2ccccc2)O 36f674f8a52e42744fd4aed6cb8f17b6 [0,0,1,1,0,0|2,0,0]=4 1979 B15R2.596 CC(Nc1ccccc1)[C@H]2C[C@H](C2)O 17fcd1a210088d008875da8e76135e1d [0,0,1,1,0,0|2,0,0]=4 1980 B15R2.596 CN(Cc1ccccc1)C2CC(C2)O 3ab89613ef0ed6963ef462316347b3b0 [0,0,1,1,0,0|2,0,0]=4 1981 B15R2.596 CN(Cc1ccccc1)[C@H]2C[C@@H](C2)O d021bb5d24cbe1e3dd7629006e84158b [0,0,1,1,0,0|2,0,0]=4 1982 B15R2.888 C#CCN1Cc2ccccc2CC1C ef41c0978a1214110754361f6ec89cb6 [0,0,1,1,0,0|1,0,1]=4 1983 B15R2.888 C#CCN1Cc2ccccc2C[C@@H]1C 5f22770e3621327ed577cb3fd0389d13 [0,0,1,1,0,0|1,0,1]=4 1984 B15R2.888 C#CCN1Cc2ccccc2C[C@H]1C 7769150d4673d0812cbda996a9f23279 [0,0,1,1,0,0|1,0,1]=4 1985 B15R2.888 C=CCN1Cc2ccccc2CC1C 20db9e225051a5cc4cba31b52ebbdcb7 [0,0,1,1,0,0|1,0,1]=4 1986 B15R2.888 C=CCN1Cc2ccccc2C[C@@H]1C dc8fcd9ba8a6937823d68656e45bb52f [0,0,1,1,0,0|1,0,1]=4 1987 B15R2.888 C=CCN1Cc2ccccc2C[C@H]1C a8b1eff94600d94169e9712aa4ba8cf8 [0,0,1,1,0,0|1,0,1]=4 1988 B15R2.888 CC1Cc2ccccc2CN1CC#N ebd3bdc50c6ef683ce265fc81d32a9fa [0,0,1,1,0,0|1,0,1]=4 1989 B15R2.888 CC1Cc2ccccc2CN1CC=O 429b3b6b5c89aa333a6c107fbb9ed3b3 [0,0,1,1,0,0|0,0,2]=4 1990 B15R2.888 CC1Cc2ccccc2CN1CCF b26cec1b680e6165ec0b52aa8489e776 [0,0,1,1,0,0|1,0,0]=3 1991 B15R2.888 CC1Cc2ccccc2CN1CCO 9c1685f0c8a074170a388b62dcb3b1c5 [0,0,1,1,0,0|0,0,0]=2 1992 B15R2.888 CC1Cc2ccccc2CN1CCS 0b634a2927613fdb65caa93b93ce1194 [0,0,1,1,0,0|0,1,0]=3 1993 B15R2.888 CCCN1Cc2ccccc2CC1C d4ce3c5f5006da117af6ab8be9400c6c [0,0,1,1,0,0|1,0,0]=3 1994 B15R2.888 CCCN1Cc2ccccc2C[C@@H]1C 0ab3bef80b3547425b6fa7d573838b21 [0,0,1,1,0,0|1,0,0]=3 1995 B15R2.888 CCCN1Cc2ccccc2C[C@H]1C 7271893d9bf61ffdfdbecba8dc0e5d50 [0,0,1,1,0,0|1,0,0]=3 1996 B15R2.888 COCN1Cc2ccccc2CC1C d311123c7d90e7232b6c6f4bf331eaed [0,0,1,1,0,0|2,0,0]=4 1997 B15R2.888 COCN1Cc2ccccc2C[C@@H]1C 138dafcac795f763eb5ec50d7ffd903f [0,0,1,1,0,0|2,0,0]=4 1998 B15R2.888 COCN1Cc2ccccc2C[C@H]1C 71769540221e53f8c69919c0a4c05a0b [0,0,1,1,0,0|2,0,0]=4 1999 B15R2.888 CSCN1Cc2ccccc2CC1C 25f16d0bebc4b4cf8df0a4cd272ede47 [0,0,1,1,0,0|2,0,0]=4 2000 B15R2.888 CSCN1Cc2ccccc2C[C@@H]1C deec22e603978dfb088ffbc627c04e2b [0,0,1,1,0,0|2,0,0]=4 2001 B15R2.888 CSCN1Cc2ccccc2C[C@H]1C 3b58f8e30572bf1a786b6e3ec48d12c5 [0,0,1,1,0,0|2,0,0]=4 2002 B15R2.888 C[C@@H]1Cc2ccccc2CN1CC#N 44dad3a26b80dcac360e0eb45ceb9263 [0,0,1,1,0,0|1,0,1]=4 2003 B15R2.888 C[C@@H]1Cc2ccccc2CN1CC=O 518af3a937ead6a6076cfd2c7e075145 [0,0,1,1,0,0|0,0,2]=4 2004 B15R2.888 C[C@@H]1Cc2ccccc2CN1CCF 214720f80d85b9e68a0f77f68fd74f0b [0,0,1,1,0,0|1,0,0]=3 2005 B15R2.888 C[C@@H]1Cc2ccccc2CN1CCO de9a72ea9fcd09c23b4ae1c9ebe0226d [0,0,1,1,0,0|0,0,0]=2 2006 B15R2.888 C[C@@H]1Cc2ccccc2CN1CCS 17d8ee1c617ec02d73a6386b74f312bd [0,0,1,1,0,0|0,1,0]=3 2007 B15R2.888 C[C@H]1Cc2ccccc2CN1CC#N af7b08d3e9b48ef8f0b56cfaa83364d5 [0,0,1,1,0,0|1,0,1]=4 2008 B15R2.888 C[C@H]1Cc2ccccc2CN1CC=O 80b10167807b46548409061eb62a4ffa [0,0,1,1,0,0|0,0,2]=4 2009 B15R2.888 C[C@H]1Cc2ccccc2CN1CCF 36d27ef0ab2b0868243f10d4346ffed3 [0,0,1,1,0,0|1,0,0]=3 2010 B15R2.888 C[C@H]1Cc2ccccc2CN1CCO 9e8c0dc0281c9991c513dbba8e34a16b [0,0,1,1,0,0|0,0,0]=2 2011 B15R2.888 C[C@H]1Cc2ccccc2CN1CCS 24c67e6725bf1bc24e87db9e48174e54 [0,0,1,1,0,0|0,1,0]=3 2012 B15R2.1342 C#CCN(C)[C@@H]1C[C@H]1c2ccccc2 707c3b29af0414adaf68ae5704d9a71f [0,0,1,1,0,0|1,0,1]=4 2013 B15R2.1342 C#CCN(C)[C@H]1C[C@@H]1c2ccccc2 b07012a70603a8b0e8199556ac1353e9 [0,0,1,1,0,0|1,0,1]=4 2014 B15R2.1342 C=CCN(C)[C@@H]1C[C@H]1c2ccccc2 bbb43165108cf449e69152ef4957a888 [0,0,1,1,0,0|1,0,1]=4 2015 B15R2.1342 C=CCN(C)[C@H]1C[C@@H]1c2ccccc2 78bd430d30e802c741c9e0b5d5edb6ff [0,0,1,1,0,0|1,0,1]=4 2016 B15R2.1342 CC(CCO)N1CC1c2ccccc2 b80f415d92ed5e7ee395f85b510b66a7 [0,0,1,1,0,0|2,0,0]=4 2017 B15R2.1342 CC(CCO)N1C[C@@H]1c2ccccc2 8dad87730a584e259d828cfd91858df9 [0,0,1,1,0,0|2,0,0]=4 2018 B15R2.1342 CCCN(C)[C@@H]1C[C@H]1c2ccccc2 c9eddceb5fa827e4461109f501366ff0 [0,0,1,1,0,0|1,0,0]=3 2019 B15R2.1342 CCCN(C)[C@H]1C[C@@H]1c2ccccc2 e929ed8574b2575beda066aaa63d476f [0,0,1,1,0,0|1,0,0]=3 2020 B15R2.1342 CN(CC#N)[C@@H]1C[C@H]1c2ccccc2 ecd60af81fb6be164d5094737f849c2c [0,0,1,1,0,0|1,0,1]=4 2021 B15R2.1342 CN(CC#N)[C@H]1C[C@@H]1c2ccccc2 81a5811d1e73dc18077764cea9cbcd69 [0,0,1,1,0,0|1,0,1]=4 2022 B15R2.1342 CN(CC=O)[C@@H]1C[C@H]1c2ccccc2 b24a90084f515937ee3677b0298b66f4 [0,0,1,1,0,0|0,0,2]=4 2023 B15R2.1342 CN(CC=O)[C@H]1C[C@@H]1c2ccccc2 1c1996d37ecd4bfffd4741ed83444c63 [0,0,1,1,0,0|0,0,2]=4 2024 B15R2.1342 CN(CCS)[C@@H]1C[C@H]1c2ccccc2 275b28a604a2f8407c62132ddff7e58b [0,0,1,1,0,0|0,1,0]=3 2025 B15R2.1342 CN(CCS)[C@H]1C[C@@H]1c2ccccc2 a825108c44590747be58a47d238718dd [0,0,1,1,0,0|0,1,0]=3 2026 B15R2.1342 COCN(C)[C@@H]1C[C@H]1c2ccccc2 3d38603e2f4102ebba10057ec62f2f7f [0,0,1,1,0,0|2,0,0]=4 2027 B15R2.1342 COCN(C)[C@H]1C[C@@H]1c2ccccc2 b4209801f84d7464cc6dfa846d40a7d1 [0,0,1,1,0,0|2,0,0]=4 2028 B15R2.1342 CSCN(C)[C@@H]1C[C@H]1c2ccccc2 69e999ba51bc81ca853ec9980bbeba14 [0,0,1,1,0,0|2,0,0]=4 2029 B15R2.1342 CSCN(C)[C@H]1C[C@@H]1c2ccccc2 c759e8a1e09db0b603c49ca1a1693381 [0,0,1,1,0,0|2,0,0]=4 2030 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 5a4ab157b8cc69f7a3a90e0a3016626b [0,0,1,1,0,0|1,0,1]=4 2031 B15R2.1356 CC(CCO)N1Cc2ccccc2C1 335f953b52a23bd81113c67ee8d84343 [0,0,1,1,0,0|2,0,0]=4 2032 B15R2.1592 CCN(C)C1Cc2ccccc2C1O 6b176b78e95f769c1446930ad04bc4b4 [0,0,1,1,0,0|0,0,0]=2 2033 B15R2.1592 CCN(C)[C@@H]1Cc2ccccc2[C@@H]1O b12173c512bcb9cd652794c8edc6f861 [0,0,1,1,0,0|0,0,0]=2 2034 B15R2.1592 CCN(C)[C@H]1Cc2ccccc2[C@@H]1O 98a11c18fbf77e389264df35ad8c1db4 [0,0,1,1,0,0|0,0,0]=2 2035 B15R2.1592 CN(C=O)[C@H]1Cc2ccccc2[C@@H]1O 839f2f91b3835011779adddeb30fd1b5 [0,0,1,1,0,0|1,0,1]=4 2036 B15R2.1592 CN(CF)[C@H]1Cc2ccccc2[C@@H]1O f513813bca257c854dfd9448ea9809e8 [0,0,1,1,0,0|1,0,0]=3 2037 B15R2.1592 CN(CO)[C@H]1Cc2ccccc2[C@@H]1O 723d60b5640ba17a6c407b63be3ba72d [0,0,1,1,0,0|1,0,0]=3 2038 B15R2.110153 O=C(C(O)c1ccccc1)N2CCC2 fffd26a9a603d150607f471feebfb167 [0,0,1,1,0,0|1,0,1]=4 2039 B15R2.110153 O=C([C@@H](O)c1ccccc1)N2CCC2 1c928df209014339bcc4136e4ebff0d0 [0,0,1,1,0,0|1,0,1]=4 2040 B15R2.110153 O=C([C@H](O)c1ccccc1)N2CCC2 d8aeac6b181414151d714af0608aa88f [0,0,1,1,0,0|1,0,1]=4 2041 B15R2.5 C#CCCOC1CCc2c1cccc2 ab024f01765dc1139989e118d4f54bf6 [0,0,1,1,0,0|1,0,1]=4 2042 B15R2.5 C#CCCO[C@@H]1CCc2c1cccc2 f72298aa3cbdc9dde5c487a214d6df1a [0,0,1,1,0,0|1,0,1]=4 2043 B15R2.5 C#CCCO[C@H]1CCc2c1cccc2 5bdc0eb45c88af2f79b4982c2d0a60d1 [0,0,1,1,0,0|1,0,1]=4 2044 B15R2.5 C/C=C/COC1CCc2c1cccc2 474bd46901972a7f10506df296d3bb00 [0,0,1,1,0,0|1,0,1]=4 2045 B15R2.5 C/C=C/CO[C@@H]1CCc2c1cccc2 173e435c86833aaeaf5be96ce1bb3435 [0,0,1,1,0,0|1,0,1]=4 2046 B15R2.5 C/C=C/CO[C@H]1CCc2c1cccc2 18eaa4d85123fcc4045b2f11f5425889 [0,0,1,1,0,0|1,0,1]=4 2047 B15R2.5 C/C=C\COC1CCc2c1cccc2 4f3cce041df6a201fa3671ce3bf2a742 [0,0,1,1,0,0|1,0,1]=4 2048 B15R2.5 C/C=C\CO[C@@H]1CCc2c1cccc2 0f0432f2b6d1e4b9414b207df3a7f0d8 [0,0,1,1,0,0|1,0,1]=4 2049 B15R2.5 C/C=C\CO[C@H]1CCc2c1cccc2 c77442fe1c16d130b6cd307749fbd972 [0,0,1,1,0,0|1,0,1]=4 2050 B15R2.5 C=CCCOC1CCc2c1cccc2 4ef4cccbdf29692142d44d8988c72244 [0,0,1,1,0,0|1,0,1]=4 2051 B15R2.5 C=CCCO[C@@H]1CCc2c1cccc2 6dfbc2f689a8a5eaeb77698ead3f8b4b [0,0,1,1,0,0|1,0,1]=4 2052 B15R2.5 C=CCCO[C@H]1CCc2c1cccc2 ff1d6c7aed6a916e0bc9c77f56938a86 [0,0,1,1,0,0|1,0,1]=4 2053 B15R2.5 CC=CCOC1CCc2c1cccc2 eff11e8388cb7b0ab1786ee1ed8b2456 [0,0,1,1,0,0|1,0,1]=4 2054 B15R2.5 CCCCNC1CCc2c1cccc2 4c662c0d27bb8706288de898c17e475f [0,0,1,1,0,0|2,0,0]=4 2055 B15R2.5 CCCCN[C@@H]1CCc2c1cccc2 e0e9af19470988179feb3f775f66eaad [0,0,1,1,0,0|2,0,0]=4 2056 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 77a61c4ec188421f2d193d410ff0c733 [0,0,1,1,0,0|2,0,0]=4 2057 B15R2.5 CCCCOC1CCc2c1cccc2 79212c8059a3d4a0d0dd009af90b3887 [0,0,1,1,0,0|1,0,0]=3 2058 B15R2.5 CCCCOC1CCc2c1cccn2 885e6c484f0987513f9373b235f4c642 [0,0,1,1,0,0|2,0,0]=4 2059 B15R2.5 CCCCOC1CCc2c1ccnc2 c6822945df7034aefd603d0258d22a1d [0,0,1,1,0,0|2,0,0]=4 2060 B15R2.5 CCCCOC1CCc2c1nccc2 0023ecca5e8391391ccce4132fc0a0c9 [0,0,1,1,0,0|2,0,0]=4 2061 B15R2.5 CCCCOC1COc2c1cccc2 ef1e899c10eb0b73f4bd810b2c53738c [0,0,1,1,0,0|2,0,0]=4 2062 B15R2.5 CCCCO[C@@H]1CCc2c1cccc2 bf1270aa9615dd083c3d482eaf8c23bc [0,0,1,1,0,0|1,0,0]=3 2063 B15R2.5 CCCCO[C@@H]1CCc2c1cccn2 8af67e34b1449583e56b15f612d9a69b [0,0,1,1,0,0|2,0,0]=4 2064 B15R2.5 CCCCO[C@@H]1CCc2c1nccc2 27ee13c3aec54f2287f3ce03192d7c47 [0,0,1,1,0,0|2,0,0]=4 2065 B15R2.5 CCCCO[C@H]1CCc2c1cccc2 241b89b8c9663ee4ebda9a05b04345a6 [0,0,1,1,0,0|1,0,0]=3 2066 B15R2.5 CCCCO[C@H]1CCc2c1cccn2 a9de1a0334cd128397d5a43c8243bed2 [0,0,1,1,0,0|2,0,0]=4 2067 B15R2.5 CCCCO[C@H]1CCc2c1nccc2 efceee14c64efdb4365200bc40db2419 [0,0,1,1,0,0|2,0,0]=4 2068 B15R2.5 COCCNC1CCc2c1cccc2 6686c1246274522804b90b6eb0f745e6 [0,0,1,1,0,0|2,0,0]=4 2069 B15R2.5 COCCN[C@@H]1CCc2c1cccc2 330a2a18305ad35069407885b5f2d900 [0,0,1,1,0,0|2,0,0]=4 2070 B15R2.5 COCCN[C@H]1CCc2c1cccc2 368d4dba18926f443bb4059f8d9eb1e3 [0,0,1,1,0,0|2,0,0]=4 2071 B15R2.5 COCCOC1CCc2c1cccc2 9da0bde1c52bc34ad585de2890d74719 [0,0,1,1,0,0|1,0,0]=3 2072 B15R2.5 COCCOC1CCc2c1cccn2 0835342e6c6874a602fab06203c1f716 [0,0,1,1,0,0|2,0,0]=4 2073 B15R2.5 COCCOC1CCc2c1ccnc2 b30548b68325dc40d46d52b8d2715e5e [0,0,1,1,0,0|2,0,0]=4 2074 B15R2.5 COCCOC1CCc2c1nccc2 bd1773d88fee84376967e14afe633426 [0,0,1,1,0,0|2,0,0]=4 2075 B15R2.5 COCCOC1COc2c1cccc2 78206c8bc2df2909b395454d9d3030a2 [0,0,1,1,0,0|2,0,0]=4 2076 B15R2.5 COCCO[C@@H]1CCc2c1cccc2 fa392d9b1fda9c1fc9c207d256d6f3c3 [0,0,1,1,0,0|1,0,0]=3 2077 B15R2.5 COCCO[C@@H]1CCc2c1cccn2 fdad7811bd34479a3a46585ac1ed4145 [0,0,1,1,0,0|2,0,0]=4 2078 B15R2.5 COCCO[C@@H]1CCc2c1nccc2 510da92e0dbc42d949a6180cbe7b0b6a [0,0,1,1,0,0|2,0,0]=4 2079 B15R2.5 COCCO[C@H]1CCc2c1cccc2 7c3c4fdf81c0bc9c57c9f596f74abe83 [0,0,1,1,0,0|1,0,0]=3 2080 B15R2.5 COCCO[C@H]1CCc2c1cccn2 6918be3f73a57fffc8ac84fbe777c6e1 [0,0,1,1,0,0|2,0,0]=4 2081 B15R2.5 COCCO[C@H]1CCc2c1nccc2 51223ce0a3b888226815a0ae5a061fdf [0,0,1,1,0,0|2,0,0]=4 2082 B15R2.5 CSCCNC1CCc2c1cccc2 bb35f8bc4a3a6f3a310ae8de23bbb1bd [0,0,1,1,0,0|2,0,0]=4 2083 B15R2.5 CSCCN[C@@H]1CCc2c1cccc2 c829e54a3c57ec92f7115459b6a94efc [0,0,1,1,0,0|2,0,0]=4 2084 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 22b2bb4695da21fa5fba50b7e4db790b [0,0,1,1,0,0|2,0,0]=4 2085 B15R2.5 CSCCOC1CCc2c1cccc2 a23452f18b295feb777d3a44253cdaa3 [0,0,1,1,0,0|1,0,0]=3 2086 B15R2.5 CSCCOC1CCc2c1cccn2 3b58516b1450c2d63a4f9c080b40176d [0,0,1,1,0,0|2,0,0]=4 2087 B15R2.5 CSCCOC1CCc2c1ccnc2 24d526f7592bee53c4b84e9752f26b34 [0,0,1,1,0,0|2,0,0]=4 2088 B15R2.5 CSCCOC1CCc2c1nccc2 094b49b698adc18abde9bb056513269a [0,0,1,1,0,0|2,0,0]=4 2089 B15R2.5 CSCCOC1COc2c1cccc2 0556855378ca4a5e80f564a46b82fcae [0,0,1,1,0,0|2,0,0]=4 2090 B15R2.5 CSCCO[C@@H]1CCc2c1cccc2 029e3e97c0c471338aab20bd99b33e0b [0,0,1,1,0,0|1,0,0]=3 2091 B15R2.5 CSCCO[C@@H]1CCc2c1cccn2 4c1a3b5f429b9375d0947ef839a94034 [0,0,1,1,0,0|2,0,0]=4 2092 B15R2.5 CSCCO[C@@H]1CCc2c1nccc2 44b1ddb581686b9372b2df76879c82c2 [0,0,1,1,0,0|2,0,0]=4 2093 B15R2.5 CSCCO[C@H]1CCc2c1cccc2 854b3a6c6da71e9471e73ffc6c7e9ab3 [0,0,1,1,0,0|1,0,0]=3 2094 B15R2.5 CSCCO[C@H]1CCc2c1cccn2 8be6d28f526a54605f35a3c224bf4b3f [0,0,1,1,0,0|2,0,0]=4 2095 B15R2.5 CSCCO[C@H]1CCc2c1nccc2 de010f65e0b7c13d5493f1cd42ececda [0,0,1,1,0,0|2,0,0]=4 2096 B15R2.5 FCCCOC1CCc2c1cccc2 be60bff4b8d1553a684783e48b7a9aea [0,0,1,1,0,0|2,0,0]=4 2097 B15R2.5 FCCCO[C@@H]1CCc2c1cccc2 3e79166165ce0aff91ab89b926e5b172 [0,0,1,1,0,0|2,0,0]=4 2098 B15R2.5 FCCCO[C@H]1CCc2c1cccc2 4497cffaaf63479ddf1b60a1e62bb0aa [0,0,1,1,0,0|2,0,0]=4 2099 B15R2.5 N#CCCOC1CCc2c1cccc2 c2868260bbb2cd9eb62783d0353bfb03 [0,0,1,1,0,0|2,0,0]=4 2100 B15R2.5 N#CCCO[C@@H]1CCc2c1cccc2 8e576d02ab3d99045b88aca35dec4eba [0,0,1,1,0,0|2,0,0]=4 2101 B15R2.5 N#CCCO[C@H]1CCc2c1cccc2 1c4e7d086ccc839c452fc49f25667d5d [0,0,1,1,0,0|2,0,0]=4 2102 B15R2.5 O=CCCOC1CCc2c1cccc2 5b8ccb10eb7554684538c894363795e1 [0,0,1,1,0,0|2,0,0]=4 2103 B15R2.5 O=CCCO[C@@H]1CCc2c1cccc2 f4b598ba22aa8319f935d39fcd713869 [0,0,1,1,0,0|2,0,0]=4 2104 B15R2.5 O=CCCO[C@H]1CCc2c1cccc2 9ac81ff9f9eee1fecffe9997f20d692d [0,0,1,1,0,0|2,0,0]=4 2105 B15R2.5 SCCCOC1CCc2c1cccc2 d5db6ae9ffda6a147cede162fdba4989 [0,0,1,1,0,0|2,0,0]=4 2106 B15R2.5 SCCCO[C@@H]1CCc2c1cccc2 f5738d23dc757d9d61c6f201dd806d73 [0,0,1,1,0,0|2,0,0]=4 2107 B15R2.5 SCCCO[C@H]1CCc2c1cccc2 fb6f542d1f5e37909346f4194dd1ee80 [0,0,1,1,0,0|2,0,0]=4 2108 B15R2.80 CCCCN1CCC1c2ccccc2 3a543fa481905875037ff465994c9fa4 [0,0,1,1,0,0|2,0,0]=4 2109 B15R2.80 COCCN1CCC1c2ccccc2 d77d985d108dce672d7b2d5520ab99ee [0,0,1,1,0,0|2,0,0]=4 2110 B15R2.80 CSCCN1CCC1c2ccccc2 93cf52c44005e64cba4d6aa795680420 [0,0,1,1,0,0|2,0,0]=4 2111 B15R2.84 CCCCN1C(C1c2ccccc2)C b422ab67851f3f22a8d21d005568eb30 [0,0,1,1,0,0|2,0,0]=4 2112 B15R2.84 CCCCN1[C@@H]([C@@H]1c2ccccc2)C 7d13876e59c8f64d196fb75b78e64ec8 [0,0,1,1,0,0|2,0,0]=4 2113 B15R2.84 COCCN1C(C1c2ccccc2)C 006ac799547c10746f4a6cf96b6f7377 [0,0,1,1,0,0|2,0,0]=4 2114 B15R2.84 COCCN1[C@@H]([C@@H]1c2ccccc2)C 265e4045df04bfe3ba16b69d2e9f9d20 [0,0,1,1,0,0|2,0,0]=4 2115 B15R2.84 CSCCN1C(C1c2ccccc2)C c180a291d2176165bb2b5b0f4f920669 [0,0,1,1,0,0|2,0,0]=4 2116 B15R2.84 CSCCN1[C@@H]([C@@H]1c2ccccc2)C a983ac4cad40476e46009af80ff07262 [0,0,1,1,0,0|2,0,0]=4 2117 B15R2.131 CCC(c1ccccc1)N2CCSC2 00bda31fca858f50cebdd60dcdd731e7 [0,0,1,1,0,0|2,0,0]=4 2118 B15R2.1327 CCC(NCC1CC1)c2ccccc2 7f95284468353c5f86e634fbf17a4998 [0,0,1,1,0,0|2,0,0]=4 2119 B15R2.1327 CCC(OCC1CC1)c2ccccc2 01492e4e4baf2f32148d5d77e2d09f85 [0,0,1,1,0,0|1,0,0]=3 2120 B15R2.1327 CC[C@@H](NCC1CC1)c2ccccc2 730257f285b497f6169ceab28e5597d6 [0,0,1,1,0,0|2,0,0]=4 2121 B15R2.1327 CC[C@@H](OCC1CC1)c2ccccc2 d681b7bea98079792d705291816e2b9b [0,0,1,1,0,0|1,0,0]=3 2122 B15R2.1327 CC[C@H](NCC1CC1)c2ccccc2 f58edd821e71cfd6b18524fef1c8054c [0,0,1,1,0,0|2,0,0]=4 2123 B15R2.1327 CC[C@H](OCC1CC1)c2ccccc2 7c5e88c99715dce1c58b852c7964816c [0,0,1,1,0,0|1,0,0]=3 2124 B15R2.1327 FCC(OCC1CC1)c2ccccc2 fa9aefa6607af0802a48dfde0eaab793 [0,0,1,1,0,0|2,0,0]=4 2125 B15R2.1327 FC[C@@H](OCC1CC1)c2ccccc2 094c3209f50a0b2d0c9f0ba28b4c5ad2 [0,0,1,1,0,0|2,0,0]=4 2126 B15R2.1331 CCC(NC1CCC1)c2ccccc2 ae572648efcf8e320ac991f836cd98f2 [0,0,1,1,0,0|2,0,0]=4 2127 B15R2.1331 CCC(NC1COC1)c2ccccc2 b8333c1df5abba07130746a929e75829 [0,0,1,1,0,0|2,0,0]=4 2128 B15R2.1331 CCC(OC1CCC1)c2ccccc2 661b958a4ed2b7a13dc85a786fe70a11 [0,0,1,1,0,0|1,0,0]=3 2129 B15R2.1331 CCC(OC1COC1)c2ccccc2 8d069588a685baf709b47ff0f9cc464f [0,0,1,1,0,0|1,0,0]=3 2130 B15R2.2127 C#CCCOC1(CC1)c2ccccc2 25e05037991905a15d0ce6c9f3667df0 [0,0,1,1,0,0|1,0,1]=4 2131 B15R2.2127 C/C=C/COC1(CC1)c2ccccc2 cc24d875c1f0a2b4e0fe829b322e69c6 [0,0,1,1,0,0|1,0,1]=4 2132 B15R2.2127 C/C=C\COC1(CC1)c2ccccc2 5ed2aa7179d97cfb5c4b0c606cdca20f [0,0,1,1,0,0|1,0,1]=4 2133 B15R2.2127 C=CCCOC1(CC1)c2ccccc2 4db0b3f65c34870ef00cf79e32cbf08d [0,0,1,1,0,0|1,0,1]=4 2134 B15R2.2127 CCCCNC1(CC1)c2ccccc2 c8d0947593e4eb37bf34305398e6a31d [0,0,1,1,0,0|2,0,0]=4 2135 B15R2.2127 COCCNC1(CC1)c2ccccc2 289508c7682d52baf1047d1604b67699 [0,0,1,1,0,0|2,0,0]=4 2136 B15R2.2127 COCCOC1(CC1)c2ccccc2 d2f73544c362cd3793e9440d9e6e4f24 [0,0,1,1,0,0|1,0,0]=3 2137 B15R2.2127 CSCCNC1(CC1)c2ccccc2 5364e3869e2f4438d02cf77c83384905 [0,0,1,1,0,0|2,0,0]=4 2138 B15R2.2127 CSCCOC1(CC1)c2ccccc2 97630a2c9d9b512dea4de8b1b65dbcbc [0,0,1,1,0,0|1,0,0]=3 2139 B15R2.2127 FCCCOC1(CC1)c2ccccc2 1c336de958dabf792f373be9ff3a2e11 [0,0,1,1,0,0|2,0,0]=4 2140 B15R2.2127 O=CCCOC1(CC1)c2ccccc2 6a7ef625c0a22d74b634aec4533f3b3e [0,0,1,1,0,0|2,0,0]=4 2141 B15R2.3816 CCC(NC1CC1C)c2ccccc2 51b5bdb72eeb5db2d5f5680f080fe937 [0,0,1,1,0,0|2,0,0]=4 2142 B15R2.10698 CCOC1C(=O)N(c2c1cccc2)C c61eb62c967a23ce158a71f213e03d45 [0,0,1,1,0,0|1,0,1]=4 2143 B15R2.17002 CCN[C@@H](c1ccccc1)C2CCC2 d9a3e80f28079f0325805f0a24750875 [0,0,1,1,0,0|2,0,0]=4 2144 B15R2.17002 CCN[C@H](c1ccccc1)C2CCC2 5a290395a622c41189b30fc40a70d485 [0,0,1,1,0,0|2,0,0]=4 2145 B15R2.17002 CCOC(c1ccccc1)C2CCC2 025609deb8621964cb44d97dedca32a6 [0,0,1,1,0,0|1,0,0]=3 2146 B15R2.17002 CCOC(c1ccccc1)C2COC2 69c9645323bba9d4ad6ed630e1b03ea0 [0,0,1,1,0,0|2,0,0]=4 2147 B15R2.4 CCN(C)CC1COc2c1cccc2 02a3607076a8c3761c34d8a860e753e9 [0,0,1,1,0,0|2,0,0]=4 2148 B15R2.15 CCC1CCN(C1)Cc2ccccc2 a7f1c006a369955207fc8b228e8406da [0,0,1,1,0,0|2,0,0]=4 2149 B15R2.15 CCN1CCC(C1)Cc2ccccc2 6659b16f91f6ad061f501b971ba4f3e6 [0,0,1,1,0,0|1,0,0]=3 2150 B15R2.15 CCN1CCC(C1)Nc2ccccc2 55ba29f316d0d4c19355b8ea9bba8d6f [0,0,1,1,0,0|2,0,0]=4 2151 B15R2.15 CCN1CCC(C1)Oc2ccccc2 d9002ee2fe9a78f76461f9e756dd06df [0,0,1,1,0,0|2,0,0]=4 2152 B15R2.15 CCN1CC[C@@H](C1)Nc2ccccc2 7c80d6cc418ff3fff8ac7e2a21f2789d [0,0,1,1,0,0|2,0,0]=4 2153 B15R2.15 CCN1CC[C@@H](C1)Oc2ccccc2 19a01432b57b6614a3019980714b5b91 [0,0,1,1,0,0|2,0,0]=4 2154 B15R2.15 CCN1CC[C@H](C1)Nc2ccccc2 b17e67d10ff792c0c3ded3ce600e70bb [0,0,1,1,0,0|2,0,0]=4 2155 B15R2.15 CCN1CC[C@H](C1)Oc2ccccc2 009b523c619d4427bec869534d65f4b9 [0,0,1,1,0,0|2,0,0]=4 2156 B15R2.15 FCN1CCC(C1)Cc2ccccc2 c2f95cbc87aa35ca6f87950ef0e10748 [0,0,1,1,0,0|2,0,0]=4 2157 B15R2.15 OCN1CCC(C1)Cc2ccccc2 0bec645f04345f0dff50bc897f1ac1c9 [0,0,1,1,0,0|2,0,0]=4 2158 B15R2.29 CC1CCN(CC1)Cc2ccccc2 42cb658e54e16da2ea12a65b0a165e16 [0,0,1,1,0,0|2,0,0]=4 2159 B15R2.29 CN1CCC(CC1)Nc2ccccc2 fc2c88a1d81c944ac781dce71d44fa28 [0,0,1,1,0,0|2,0,0]=4 2160 B15R2.29 CN1CCN(CC1)Cc2ccccc2 86b77926525ea96277c6132db63cb636 [0,0,1,1,0,0|1,0,0]=3 2161 B15R2.29 CN1CCN(CC1)Cc2ccccn2 1182c5494360c06ea65bf0029826bd48 [0,0,1,1,0,0|2,0,0]=4 2162 B15R2.29 CN1CCN(CC1)Cc2cccnc2 0b856d2af278315a9601d6958eefcffa [0,0,1,1,0,0|2,0,0]=4 2163 B15R2.283 CC1CC(CO1)OCc2ccccc2 37e8d3e278c35dd540a71ab5dc36e51a [0,0,1,1,0,0|2,0,0]=4 2164 B15R2.283 CC1CCC(C1)NCc2ccccc2 5b3abc4be81081ec6c0f382fc8592b29 [0,0,1,1,0,0|2,0,0]=4 2165 B15R2.283 CC1CCC(C1)OCc2ccccc2 5ac68104906d9f4b2f217e3f54fd6206 [0,0,1,1,0,0|1,0,0]=3 2166 B15R2.283 CC1CCC(C1)OCc2ccccn2 d87c1f458dfb6884ea742bff65190255 [0,0,1,1,0,0|2,0,0]=4 2167 B15R2.283 CC1CCC(C1)OCc2cccnc2 d5fc1ec8ee87a1c4b50462ba48cab2f2 [0,0,1,1,0,0|2,0,0]=4 2168 B15R2.283 CN1CCC(C1)CNc2ccccc2 cc98232d5422cd39cda97377c82a32c6 [0,0,1,1,0,0|2,0,0]=4 2169 B15R2.283 CN1CCC(C1)NCc2ccccc2 3d5a94e0145b6fea61158c15a54225d0 [0,0,1,1,0,0|1,0,0]=3 2170 B15R2.283 CN1CCC(C1)NCc2ccccn2 4f24208782fc614223f34cec1483de90 [0,0,1,1,0,0|2,0,0]=4 2171 B15R2.283 CN1CCC(C1)NCc2cccnc2 4e0ea4b76c36c6d463196a24846363f9 [0,0,1,1,0,0|2,0,0]=4 2172 B15R2.283 CN1CCC(C1)NCc2ccncc2 6a42c03450f2cd1838c100e82535b120 [0,0,1,1,0,0|2,0,0]=4 2173 B15R2.283 CN1CCC(C1)OCc2ccccc2 cdbf7467a850ef9eeae5452eea16f22e [0,0,1,1,0,0|0,0,0]=2 2174 B15R2.283 CN1CCC(C1)OCc2ccccn2 35e07c29e62b9b5812f885b22109a750 [0,0,1,1,0,0|1,0,0]=3 2175 B15R2.283 CN1CCC(C1)OCc2cccnc2 8dc6dd547c5e2a8ce9d0d95b6b186d2a [0,0,1,1,0,0|1,0,0]=3 2176 B15R2.283 CN1CCC(C1)OCc2cccnn2 e6003abe14ebfac249630232c9df2a4f [0,0,1,1,0,0|2,0,0]=4 2177 B15R2.283 CN1CCC(C1)OCc2ccncn2 f145b8a97f6167b0d72b990a8bdac7ca [0,0,1,1,0,0|2,0,0]=4 2178 B15R2.283 CN1CCC(C1)OCc2cncnc2 bdca14d5ad4f6a91b0821295cf6fa211 [0,0,1,1,0,0|2,0,0]=4 2179 B15R2.283 CN1CCC(C1)OCc2ncccn2 1bae8047bf6127cf2a07f40ffe84b919 [0,0,1,1,0,0|2,0,0]=4 2180 B15R2.283 CN1CCN(C1)CCc2ccccc2 68640640a5e6ade9effd8a2c57711a95 [0,0,1,1,0,0|2,0,0]=4 2181 B15R2.283 CN1CC[C@@H](C1)CNc2ccccc2 c367a6c8e655ababe514c42e64936987 [0,0,1,1,0,0|2,0,0]=4 2182 B15R2.283 CN1CC[C@@H](C1)NCc2ccccc2 f143ab9335d86f6fda23ae1a45649a61 [0,0,1,1,0,0|1,0,0]=3 2183 B15R2.283 CN1CC[C@@H](C1)NCc2ccccn2 c803d2628bdd6b67258e361b372d389d [0,0,1,1,0,0|2,0,0]=4 2184 B15R2.283 CN1CC[C@@H](C1)NCc2cccnc2 67248359b41244b90c3a674d1c2f9f25 [0,0,1,1,0,0|2,0,0]=4 2185 B15R2.283 CN1CC[C@@H](C1)OCc2ccccc2 034b2a30f7f4878d0f576118a89fb18e [0,0,1,1,0,0|0,0,0]=2 2186 B15R2.283 CN1CC[C@@H](C1)OCc2ccccn2 c6653bf98cf7ca448eec027c5bcd9352 [0,0,1,1,0,0|1,0,0]=3 2187 B15R2.283 CN1CC[C@@H](C1)OCc2cccnc2 eb4b62c52603ef18cdc44fb13f903dc7 [0,0,1,1,0,0|1,0,0]=3 2188 B15R2.283 CN1CC[C@@H](C1)OCc2cccnn2 428e94eb6852227629319863203ebb01 [0,0,1,1,0,0|2,0,0]=4 2189 B15R2.283 CN1CC[C@@H](C1)OCc2ccncn2 47217abe0f4a407e541da07cf1f48780 [0,0,1,1,0,0|2,0,0]=4 2190 B15R2.283 CN1CC[C@@H](C1)OCc2cncnc2 57582bcf21cb0e11ebbe608c490c574f [0,0,1,1,0,0|2,0,0]=4 2191 B15R2.283 CN1CC[C@@H](C1)OCc2ncccn2 18f85e06a37bc4a6fa3b5c0c0d079ab3 [0,0,1,1,0,0|2,0,0]=4 2192 B15R2.283 CN1CC[C@H](C1)CNc2ccccc2 59490484dd8a931fe5b514833eb22ced [0,0,1,1,0,0|2,0,0]=4 2193 B15R2.283 CN1CC[C@H](C1)NCc2ccccc2 73c1aba4680f17e5ec902d2354d94e98 [0,0,1,1,0,0|1,0,0]=3 2194 B15R2.283 CN1CC[C@H](C1)NCc2ccccn2 9c1fd4f356ffefc256b93718b16268ed [0,0,1,1,0,0|2,0,0]=4 2195 B15R2.283 CN1CC[C@H](C1)NCc2cccnc2 7c34d69adfbfe470a6fe51396be2dbe6 [0,0,1,1,0,0|2,0,0]=4 2196 B15R2.283 CN1CC[C@H](C1)OCc2ccccc2 e8fa4c490fa924ef4382255edfdbc666 [0,0,1,1,0,0|0,0,0]=2 2197 B15R2.283 CN1CC[C@H](C1)OCc2ccccn2 93be12d218ff4953f8cf69ffb2589b45 [0,0,1,1,0,0|1,0,0]=3 2198 B15R2.283 CN1CC[C@H](C1)OCc2cccnc2 d820311c1cfa54d9c7caf308b91da5df [0,0,1,1,0,0|1,0,0]=3 2199 B15R2.283 CN1CC[C@H](C1)OCc2cccnn2 53207f670eda651fbce2f32d335af956 [0,0,1,1,0,0|2,0,0]=4 2200 B15R2.283 CN1CC[C@H](C1)OCc2ccncn2 c144558d35690d65fcc284edd8722330 [0,0,1,1,0,0|2,0,0]=4 2201 B15R2.283 CN1CC[C@H](C1)OCc2cncnc2 97c6b4b600a4d05a27d089254ca5f7b0 [0,0,1,1,0,0|2,0,0]=4 2202 B15R2.283 CN1CC[C@H](C1)OCc2ncccn2 76e943d503a4a6229a3e0dd7e8b33108 [0,0,1,1,0,0|2,0,0]=4 2203 B15R2.283 FC1CCC(C1)OCc2ccccc2 622b3b541714b54145a58c8e0c34e9ba [0,0,1,1,0,0|2,0,0]=4 2204 B15R2.283 O=C1CCC(C1)OCc2ccccc2 a64412e82b84530dc53e416f3dad8818 [0,0,1,1,0,0|2,0,0]=4 2205 B15R2.342 CN1CCC1CNCc2ccccc2 efa51a0e10b5c1b9666c3a8781fb38d6 [0,0,1,1,0,0|1,0,0]=3 2206 B15R2.342 CN1CCC1CNCc2ccccn2 91a8548148c133ddb08094ecaa775e33 [0,0,1,1,0,0|2,0,0]=4 2207 B15R2.342 CN1CCC1CNCc2cccnc2 c9a65258b71faea0c6ad652c3170031b [0,0,1,1,0,0|2,0,0]=4 2208 B15R2.342 CN1CCC1COCc2ccccc2 dd88d51ed6405f1c32f970a4f77b78d5 [0,0,1,1,0,0|0,0,0]=2 2209 B15R2.342 CN1CCC1COCc2ccccn2 1c2876ba51f5c7d3d0f0bff2f1d66c5e [0,0,1,1,0,0|1,0,0]=3 2210 B15R2.342 CN1CCC1COCc2cccnc2 2fb7ff79a17812504808ee33d538f638 [0,0,1,1,0,0|1,0,0]=3 2211 B15R2.342 CN1CCC1COCc2cccnn2 a32390f0af8847e48c115aee684424cc [0,0,1,1,0,0|2,0,0]=4 2212 B15R2.342 CN1CCC1COCc2ccncn2 777ac48134cef500406f764316958aa4 [0,0,1,1,0,0|2,0,0]=4 2213 B15R2.342 CN1CCC1COCc2cncnc2 cfe0d76111dd29b856752e40c72f68c0 [0,0,1,1,0,0|2,0,0]=4 2214 B15R2.342 CN1CCC1COCc2ncccn2 9b53b7fb0313e6147acf3169184fc0b4 [0,0,1,1,0,0|2,0,0]=4 2215 B15R2.342 CN1CC[C@@H]1COCc2ccccc2 6fe4bd8f848be3874fd75cc21103b78c [0,0,1,1,0,0|0,0,0]=2 2216 B15R2.342 CN1CC[C@@H]1COCc2ccccn2 7820372896b1b1ba22eb85b1256e33ea [0,0,1,1,0,0|1,0,0]=3 2217 B15R2.342 CN1CC[C@@H]1COCc2cccnc2 19c00076b95e07744853925290c51ac5 [0,0,1,1,0,0|1,0,0]=3 2218 B15R2.342 CN1CC[C@@H]1COCc2cccnn2 b2224890e0a3afbc7bd2dfa5417420b2 [0,0,1,1,0,0|2,0,0]=4 2219 B15R2.342 CN1CC[C@@H]1COCc2ccncn2 c1e150ccac486ebd6d855035356855ef [0,0,1,1,0,0|2,0,0]=4 2220 B15R2.342 CN1CC[C@@H]1COCc2cncnc2 cc5a5f9f9616d9b574d7d29d40e6f8aa [0,0,1,1,0,0|2,0,0]=4 2221 B15R2.342 CN1CC[C@@H]1COCc2ncccn2 cacf0d385faffa014b1446b9709b05dc [0,0,1,1,0,0|2,0,0]=4 2222 B15R2.342 CN1CC[C@H]1COCc2ccccc2 bd859e840f2540fda336b49952fb5547 [0,0,1,1,0,0|0,0,0]=2 2223 B15R2.342 CN1CC[C@H]1COCc2ccccn2 db9ea01c8d25d06bb56dc7f0d7f8eede [0,0,1,1,0,0|1,0,0]=3 2224 B15R2.342 CN1CC[C@H]1COCc2cccnc2 96df319ff6b4490b6926032252839de4 [0,0,1,1,0,0|1,0,0]=3 2225 B15R2.342 CN1CC[C@H]1COCc2cccnn2 11fb81d3046486dacf24313875aed757 [0,0,1,1,0,0|2,0,0]=4 2226 B15R2.342 CN1CC[C@H]1COCc2ccncn2 849a6c563543af864cb1a5e53e3f446b [0,0,1,1,0,0|2,0,0]=4 2227 B15R2.342 CN1CC[C@H]1COCc2cncnc2 b0d298965b87776545ed1920e5b69ff8 [0,0,1,1,0,0|2,0,0]=4 2228 B15R2.342 CN1CC[C@H]1COCc2ncccn2 8ac6fd8e405f94bfa98a60a9c3d13002 [0,0,1,1,0,0|2,0,0]=4 2229 B15R2.342 FC1CCC1COCc2ccccc2 b411108f8acc527bc78808c012dd7e07 [0,0,1,1,0,0|2,0,0]=4 2230 B15R2.342 O=C1CCC1COCc2ccccc2 4efd031d0ead77849f8b5d4692010a36 [0,0,1,1,0,0|2,0,0]=4 2231 B15R2.492 CC1CC1NCOCc2ccccc2 3bc06b2c204ae2b6bf955707a4a11d11 [0,0,1,1,0,0|2,0,0]=4 2232 B15R2.1995 CCN1CC(C1)CNc2ccccc2 0033d37e675142ba4a954ccc29a7fb5e [0,0,1,1,0,0|2,0,0]=4 2233 B15R2.1995 CCN1CC(C1)NCc2ccccc2 be422c8e78d0cde1e389fdc863593b30 [0,0,1,1,0,0|1,0,0]=3 2234 B15R2.1995 CCN1CC(C1)NCc2ccccn2 32f6c9cb32e56449655b545fd2d1b858 [0,0,1,1,0,0|2,0,0]=4 2235 B15R2.1995 CCN1CC(C1)NCc2cccnc2 60709f869e05145fe9a0ca6fd62d4c67 [0,0,1,1,0,0|2,0,0]=4 2236 B15R2.1995 CCN1CC(C1)OCc2ccccc2 b342183108586a5251329799c8d0ebcf [0,0,1,1,0,0|0,0,0]=2 2237 B15R2.1995 CCN1CC(C1)OCc2ccccn2 a71d1ccc9c02c090c7328e1f2b64acf0 [0,0,1,1,0,0|1,0,0]=3 2238 B15R2.1995 CCN1CC(C1)OCc2cccnc2 cc1565b37fcb0affcf7c2507fa0d3203 [0,0,1,1,0,0|1,0,0]=3 2239 B15R2.1995 CCN1CC(C1)OCc2cccnn2 4644175b54f938c31e86029f85062b5f [0,0,1,1,0,0|2,0,0]=4 2240 B15R2.1995 CCN1CC(C1)OCc2ccncn2 8d3d9ee44c5afc65a51b7b4f0e4ae9ef [0,0,1,1,0,0|2,0,0]=4 2241 B15R2.1995 CCN1CC(C1)OCc2cncnc2 586cfaba3190dfc3a77061a5af4ed877 [0,0,1,1,0,0|2,0,0]=4 2242 B15R2.1995 CCN1CC(C1)OCc2ncccn2 7989b0b01a418befc7f04949a8fbfdd6 [0,0,1,1,0,0|2,0,0]=4 2243 B15R2.1995 COC1CC(C1)OCc2ccccc2 1490926e7e7f23926e9d1b2856a78dab [0,0,1,1,0,0|2,0,0]=4 2244 B15R2.1995 CO[C@H]1C[C@@H](C1)OCc2ccccc2 d6bb799b12ece9363f4d1d0c33cd19b1 [0,0,1,1,0,0|2,0,0]=4 2245 B15R2.1995 CO[C@H]1C[C@H](C1)OCc2ccccc2 4e82f6d75623d79722e9b145881b29ae [0,0,1,1,0,0|2,0,0]=4 2246 B15R2.1995 FCN1CC(C1)OCc2ccccc2 7a2d1d23872ad6087fbc891efc096c86 [0,0,1,1,0,0|1,0,0]=3 2247 B15R2.1995 FC[C@H]1C[C@H](C1)OCc2ccccc2 493487ee5b78b2ed408f018c7332954e [0,0,1,1,0,0|2,0,0]=4 2248 B15R2.1995 O=CN1CC(C1)OCc2ccccc2 a64d8fd2cd7d4ec22b80e1a9a318d5da [0,0,1,1,0,0|1,0,1]=4 2249 B15R2.1995 OCN1CC(C1)OCc2ccccc2 f446c290aabf54cdc65a6646cc4bfdae [0,0,1,1,0,0|1,0,0]=3 2250 B15R2.7945 CC1(CC1)CCOCc2ccccc2 eeb26d3625b26c5c8ead7b08a528001d [0,0,1,1,0,0|1,0,0]=3 2251 B15R2.7945 CC1(CC1)CCOCc2ccccn2 b05f373dfcc4982df391e7abc9d5d8a4 [0,0,1,1,0,0|2,0,0]=4 2252 B15R2.7945 CC1(CC1)CCOCc2cccnc2 e2fb8e5416a89c0c61b74ec36ac7d73c [0,0,1,1,0,0|2,0,0]=4 2253 B15R2.7945 CC1(CC1)NCOCc2ccccc2 3fd77b2a51cf11e841fa43e9b6714541 [0,0,1,1,0,0|2,0,0]=4 2254 B15R2.27836 c1cc(ccn1)CCCCN2CCC2 00a81bb12a0de9e312148fa97943b227 [0,0,1,1,0,0|2,0,0]=4 2255 B15R2.27836 c1cc(ccn1)COCCC2CCC2 f8eac41b4129e1248c8479c913ae096b [0,0,1,1,0,0|2,0,0]=4 2256 B15R2.27836 c1cc(ncn1)COCCN2CCC2 690f8854ce48e2fd432a20572b932596 [0,0,1,1,0,0|2,0,0]=4 2257 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 59a7db1b9b82f719c23d1b7f857d42b5 [0,0,1,1,0,0|1,0,0]=3 2258 B15R2.27836 c1ccc(cc1)CNCCC2CCC2 7282fe64d09a0ce656a247ef9752bb26 [0,0,1,1,0,0|2,0,0]=4 2259 B15R2.27836 c1ccc(cc1)CNCCN2CCC2 732b11441ed12611626f31f2950492bd [0,0,1,1,0,0|1,0,0]=3 2260 B15R2.27836 c1ccc(cc1)COCCC2CCC2 697064e8232314328b67ef6652e56863 [0,0,1,1,0,0|1,0,0]=3 2261 B15R2.27836 c1ccc(cc1)COCCC2CCO2 2b792523c75a1674b1463512457fbe21 [0,0,1,1,0,0|2,0,0]=4 2262 B15R2.27836 c1ccc(cc1)COCCC2COC2 9e4884ff7fcd0acdaf89fee1fea629a5 [0,0,1,1,0,0|2,0,0]=4 2263 B15R2.27836 c1ccc(cc1)COCCN2CCC2 5a0eb267aa3fa6d11583a85c43dde9d6 [0,0,1,1,0,0|0,0,0]=2 2264 B15R2.27836 c1ccc(cc1)COCC[C@@H]2CCO2 13c083fce7b6b0b70433f1d252270353 [0,0,1,1,0,0|2,0,0]=4 2265 B15R2.27836 c1ccc(cc1)COCC[C@H]2CCO2 e1a88b996f12b55621470e8a7f54649c [0,0,1,1,0,0|2,0,0]=4 2266 B15R2.27836 c1ccc(cc1)COCNC2CCC2 84e921c6964241a177dbc5d96e6dca05 [0,0,1,1,0,0|2,0,0]=4 2267 B15R2.27836 c1ccc(cc1)COCOC2CCC2 944608cd75aaf54a6f9cbcb750d53ee5 [0,0,1,1,0,0|2,0,0]=4 2268 B15R2.27836 c1ccc(cc1)CSCCN2CCC2 c3036612b0304e9f54bc5f92f4374179 [0,0,1,1,0,0|0,1,0]=3 2269 B15R2.27836 c1ccc(cc1)NCCCN2CCC2 bf83e757c9828e15816ad0cf43ab323f [0,0,1,1,0,0|2,0,0]=4 2270 B15R2.27836 c1ccc(cc1)OCCCN2CCC2 7c60c47d4526168a56fcf0e70d5cce32 [0,0,1,1,0,0|2,0,0]=4 2271 B15R2.27836 c1ccc(nc1)CNCCN2CCC2 4c0bbed1143fb446bf296e78860f4a7b [0,0,1,1,0,0|2,0,0]=4 2272 B15R2.27836 c1ccc(nc1)COCCC2CCC2 763cf2045946c5f1aeb379337cca680b [0,0,1,1,0,0|2,0,0]=4 2273 B15R2.27836 c1ccc(nc1)COCCN2CCC2 9e6b6564265fdef95f4a743f8b818d53 [0,0,1,1,0,0|1,0,0]=3 2274 B15R2.27836 c1cnc(nc1)COCCN2CCC2 4a0b1bd018c092489e1581a81b0f942e [0,0,1,1,0,0|2,0,0]=4 2275 B15R2.27836 c1cncc(c1)CNCCN2CCC2 937ed676e59983358f980b37eae05338 [0,0,1,1,0,0|2,0,0]=4 2276 B15R2.27836 c1cncc(c1)COCCC2CCC2 96e5d420b57ca62400851c667a1bbe79 [0,0,1,1,0,0|2,0,0]=4 2277 B15R2.27836 c1cncc(c1)COCCN2CCC2 588ff96dcecbb849f6325c4284eacdbd [0,0,1,1,0,0|1,0,0]=3 2278 B15R2.27836 c1cnnc(c1)COCCN2CCC2 acfdce9fad549523038c954e64977608 [0,0,1,1,0,0|2,0,0]=4 2279 B15R2.27836 c1ncc(cn1)COCCN2CCC2 86b6ee46c80a6f45439da58c2a524c48 [0,0,1,1,0,0|2,0,0]=4 2280 B13R1.118 CCC(OCCOC)c1ccco1 49952910be15bae1ec490a19969f0954 [0,0,1,0,1,0|2,0,0]=4 2281 B13R1.118 CCC(OCCSC)c1ccco1 b17aee487df4249e911164031517a2bc [0,0,1,0,1,0|2,0,0]=4 2282 B13R1.118 CCCCOC(CC)c1ccco1 1450a8c364aecfb4c55e1f97b0b841f1 [0,0,1,0,1,0|2,0,0]=4 2283 B13R1.536 CCC(C)CCOCc1cc[nH]c1 a7803ed88bba1475c651081a36f13dab [0,0,1,0,1,0|2,0,0]=4 2284 B13R1.536 CCC(C)CCOCc1ccc[nH]1 ceeb4987aa635bc8f8c201f2cde4cf20 [0,0,1,0,1,0|2,0,0]=4 2285 B13R1.536 CCC(C)CCOCc1ccco1 edb7dbd9e544937a3f677e24b2578743 [0,0,1,0,1,0|2,0,0]=4 2286 B13R1.536 CCC(C)CCOCc1cccs1 e4fd457a3cd4502323b34199747d56c5 [0,0,1,0,1,0|2,0,0]=4 2287 B13R1.536 CCC(C)CCOCc1ccoc1 ee284622b10c660ccfcf378a74d06040 [0,0,1,0,1,0|2,0,0]=4 2288 B13R1.536 CCC(C)CCOCc1ccsc1 9ba336ce91a4551a8b865ff83ee049f9 [0,0,1,0,1,0|2,0,0]=4 2289 B13R1.536 CC[C@H](C)CCOCc1ccco1 5a582a7076c2a4a93e0a54f1a97eb345 [0,0,1,0,1,0|2,0,0]=4 2290 B13R1.536 CC[C@H](C)CCOCc1cccs1 0a0bc4b5b9789eeb3da4b06b14992f22 [0,0,1,0,1,0|2,0,0]=4 2291 B13R1.536 CC[C@H](C)CCOCc1ccsc1 cd3eb944051c366a8ecf68de512ba0a3 [0,0,1,0,1,0|2,0,0]=4 2292 B13R1.718 CCC(=O)COCc1ccccc1 266396ee78f62f5a5e858c0195fee052 [0,0,1,0,1,0|2,0,0]=4 2293 B13R1.718 CCC(C)CCNc1ccccc1 b42133b77396dfed20aa3240ac9ca29a [0,0,1,0,1,0|2,0,0]=4 2294 B13R1.718 CCC(C)CCOc1ccccn1 bd11a35883ef61e8f6d1e2415310e6f3 [0,0,1,0,1,0|2,0,0]=4 2295 B13R1.718 CCC(C)CCOc1cccnc1 ed4367460491fb46c46dee5ed7230757 [0,0,1,0,1,0|2,0,0]=4 2296 B13R1.718 CCC(C)CCOc1ccncc1 310c23f83a48703aa58c066af4c44b93 [0,0,1,0,1,0|2,0,0]=4 2297 B13R1.718 CCC(C)CNCc1ccccc1 9212151e95985ff645dd6e0e56bfbd96 [0,0,1,0,1,0|2,0,0]=4 2298 B13R1.718 CCC(C)COCc1ccccc1 a8db5027fb548c7a3aa4f8e3aac3f29d [0,0,1,0,1,0|1,0,0]=3 2299 B13R1.718 CCC(C)COCc1ccccn1 7b83d988cff80e11b11e235047a147c3 [0,0,1,0,1,0|2,0,0]=4 2300 B13R1.718 CCC(C)COCc1cccnc1 fe6d4d34907cd3ec66bebb4fc3bae3e9 [0,0,1,0,1,0|2,0,0]=4 2301 B13R1.718 CCC(C)COCc1ccncc1 e66edb448c616cc26f66a154df8920b0 [0,0,1,0,1,0|2,0,0]=4 2302 B13R1.718 CCC(C)NCCc1ccccc1 04fedbf0cb6009843db62b814f469f4d [0,0,1,0,1,0|2,0,0]=4 2303 B13R1.718 CCC(C)OCCc1ccccc1 ebd850bb8f2f6a99345d946634614b34 [0,0,1,0,1,0|2,0,0]=4 2304 B13R1.718 CCN(C)C/C=C/c1ccccc1 ae74fb675ff9173a5d997319afee9fe3 [0,0,1,0,1,0|0,0,2]=4 2305 B13R1.718 CCN(C)CCCc1ccccc1 0fcd92cbf113da90360df3090d73dab6 [0,0,1,0,1,0|0,0,0]=2 2306 B13R1.718 CCN(C)CCCc1ccccn1 ed387976743ca9ef2172d2aed443ce62 [0,0,1,0,1,0|1,0,0]=3 2307 B13R1.718 CCN(C)CCCc1cccnc1 08e064d80b82aa312dcb907da5935698 [0,0,1,0,1,0|1,0,0]=3 2308 B13R1.718 CCN(C)CCCc1ccncc1 090fc1c3989d53ad9c583f0f644b34b5 [0,0,1,0,1,0|1,0,0]=3 2309 B13R1.718 CCN(C)CCOc1ccccc1 b36b1e616b4c6056ffba3ad5a2f8e9e2 [0,0,1,0,1,0|0,0,0]=2 2310 B13R1.718 CCN(C)CCSc1ccccc1 a98a0865a25951bfeff6b5260e689ee9 [0,0,1,0,1,0|0,1,0]=3 2311 B13R1.718 CCN(C)CCSc1ccccn1 c09dfa58a4643857ce6d8ba2d360b643 [0,0,1,0,1,0|1,1,0]=4 2312 B13R1.718 CC[C@@H](C)CNCc1ccccc1 3e755e1966c9036c01c574cad72da958 [0,0,1,0,1,0|2,0,0]=4 2313 B13R1.718 CC[C@@H](C)COCc1ccccc1 3acbc56912048406996b8b9ea7a10564 [0,0,1,0,1,0|1,0,0]=3 2314 B13R1.718 CC[C@@H](C)COCc1ccccn1 618f3b9796e3c4139e4546044d36cf66 [0,0,1,0,1,0|2,0,0]=4 2315 B13R1.718 CC[C@@H](C)COCc1cccnc1 2082720fd42b4aa1edce5af9da79dea5 [0,0,1,0,1,0|2,0,0]=4 2316 B13R1.718 CC[C@@H](C)COCc1ccncc1 41b531a174290966234eea8ec43f0d04 [0,0,1,0,1,0|2,0,0]=4 2317 B13R1.718 CC[C@@H](C)NCCc1ccccc1 e9d3e12ce5c5fe10ecfef40b36bd9295 [0,0,1,0,1,0|2,0,0]=4 2318 B13R1.718 CC[C@@H](C)OCCc1ccccc1 2f036ce5b90828a6d2f870c2a2025003 [0,0,1,0,1,0|2,0,0]=4 2319 B13R1.718 CC[C@H](C)CNCc1ccccc1 57f32a8258da15a9bcf0119991ef3cbb [0,0,1,0,1,0|2,0,0]=4 2320 B13R1.718 CC[C@H](C)COCc1ccccc1 3b63c6ed8446e2d55321d06d46f32904 [0,0,1,0,1,0|1,0,0]=3 2321 B13R1.718 CC[C@H](C)COCc1ccccn1 66f5981fc79bdf4b8dd51e817064c9e6 [0,0,1,0,1,0|2,0,0]=4 2322 B13R1.718 CC[C@H](C)COCc1cccnc1 04109a15eb726aa89d0dda7ba084fd90 [0,0,1,0,1,0|2,0,0]=4 2323 B13R1.718 CC[C@H](C)COCc1ccncc1 31d735532f7f405c7342d5e6e7b328b5 [0,0,1,0,1,0|2,0,0]=4 2324 B13R1.718 CC[C@H](C)NCCc1ccccc1 5bd761bea609e39e2c4848d512bd6573 [0,0,1,0,1,0|2,0,0]=4 2325 B13R1.718 CC[C@H](C)OCCc1ccccc1 fd47c0386d3a87c182e4a46502f572e0 [0,0,1,0,1,0|2,0,0]=4 2326 B13R1.718 CN(C=O)CCOc1ccccc1 5a9829cb6a2bf0872931c97c1243cbb5 [0,0,1,0,1,0|1,0,1]=4 2327 B13R1.718 CN(CF)CCCc1cccnc1 fd702936949d6331139d7ec92031309d [0,0,1,0,1,0|2,0,0]=4 2328 B13R1.718 CN(CF)CCCc1ccncc1 009c3f7ec4718c26f6291a7586797800 [0,0,1,0,1,0|2,0,0]=4 2329 B13R1.718 CN(CF)CCOc1ccccc1 25b50ba66d582ebec98da6982e163322 [0,0,1,0,1,0|1,0,0]=3 2330 B13R1.718 CN(CO)CCCc1cccnc1 9a1871ab2e58bbfefe8f742efc62c1b1 [0,0,1,0,1,0|2,0,0]=4 2331 B13R1.718 CN(CO)CCCc1ccncc1 fa2b0d69ffeb4f0fa039154e6bc2143f [0,0,1,0,1,0|2,0,0]=4 2332 B13R1.718 CN(CO)CCOc1ccccc1 352c8a268dcb0c5ab1e6fce5e7fb0d8f [0,0,1,0,1,0|1,0,0]=3 2333 B13R1.718 COC(C)COCc1ccccc1 abc0b1f0547ce39d198869ca56fd0562 [0,0,1,0,1,0|2,0,0]=4 2334 B13R1.718 CO[C@@H](C)COCc1ccccc1 88aecf7f711ca4c8fca58ebe797b8738 [0,0,1,0,1,0|2,0,0]=4 2335 B13R1.718 CO[C@H](C)COCc1ccccc1 c455f4df22b5e153ceb05224bc6c1d03 [0,0,1,0,1,0|2,0,0]=4 2336 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 7f35d53511c4a598094e203d6c385973 [0,0,1,0,0,1|2,0,0]=4 2337 B15R1.809 CN(CCO)CC(=O)Cc1ccccc1 3673db9df35d8082dac2d9c63866f0cd [0,0,1,0,0,1|1,0,1]=4 2338 B15R1.826 C#CCN(C)C(C)CCc1ccccc1 d742f5065dcbaa9ea6ba39ccea04b53c [0,0,1,0,0,1|1,0,1]=4 2339 B15R1.826 C#CCN(C)C(C)COc1ccccc1 599f64ba659350a21d8013acfdb0719f [0,0,1,0,0,1|1,0,1]=4 2340 B15R1.826 C=CCN(C)C(C)CCc1ccccc1 c0072e5850467b23a5e721718dfbd79d [0,0,1,0,0,1|1,0,1]=4 2341 B15R1.826 C=CCN(C)C(C)COc1ccccc1 0b78a85e57696a6ab8f7c829bbbf265f [0,0,1,0,0,1|1,0,1]=4 2342 B15R1.826 CC(CCO)N(C)CCc1ccccc1 6b188dc544ca9f212252e23871b88aa9 [0,0,1,0,0,1|2,0,0]=4 2343 B15R1.826 CC(CCc1ccccc1)N(C)CCF db751bd37982c27ec8d648ad7387dd9e [0,0,1,0,0,1|1,0,0]=3 2344 B15R1.826 CC(COc1ccccc1)N(C)CCF e4dfc5f0f8f97da3f740e6213398ac5b [0,0,1,0,0,1|1,0,0]=3 2345 B15R1.826 CCCN(C)C(C)COc1ccccc1 914714ab976dea0c002d70b484245393 [0,0,1,0,0,1|1,0,0]=3 2346 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 5dbf95e6e027e08bb200b8988b6b7f70 [0,0,1,0,0,1|1,0,1]=4 2347 B15R1.826 CN(CCO)C(=O)COc1ccccc1 9756ff3e1c38b16af08abcacefd715a3 [0,0,1,0,0,1|1,0,1]=4 2348 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 1d27937f3b6be6db774d3e8b38574406 [0,0,1,0,0,1|1,0,1]=4 2349 B15R1.826 CN(CCO)C(=O)NCc1ccccc1 a2481e0ddf26b806cdf883202459865a [0,0,1,0,0,1|1,0,1]=4 2350 B15R1.826 CN(CCO)C(=S)NCc1ccccc1 9f0263df8409d11bcfc5fa028c1b4851 [0,0,1,0,0,1|1,0,1]=4 2351 B15R1.826 C[C@@H](CCO)N(C)CCc1ccccc1 be82af50592cd29b0c0089d1b747c65f [0,0,1,0,0,1|2,0,0]=4 2352 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 6ff47933ce3b7e40dddc8d35b52c254e [0,0,1,0,0,1|2,0,0]=4 2353 B15R1.947 CCC(C)N(C)C[C@H](O)c1ccccc1 3783e00ef0c44e93df743280a741e59a [0,0,1,0,0,1|2,0,0]=4 2354 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 81604e1455f7a25431b69c24ad4c09f3 [0,0,1,0,0,1|1,0,1]=4 2355 B15R1.947 CCN(C)C(=O)C[C@@H](O)c1ccccc1 2ab9730587d1aa8e81c73fb8d52d1efc [0,0,1,0,0,1|1,0,1]=4 2356 B15R1.947 CCN(C)C(=O)C[C@H](O)c1ccccc1 0ebf3413f2ba164b41427e5aa7de0c3a [0,0,1,0,0,1|1,0,1]=4 2357 B15R1.1035 C#CCCOC(CC)Cc1ccccc1 67534f94fb0ef5ec49d91848efbf0b91 [0,0,1,0,0,1|1,0,1]=4 2358 B15R1.1035 C/C=C/COC(CC)Cc1ccccc1 b620a5102d475bdcd4942578694d8220 [0,0,1,0,0,1|1,0,1]=4 2359 B15R1.1035 C/C=C\COC(CC)Cc1ccccc1 ed0d1e447b623df6c32fbec68f7ccfb6 [0,0,1,0,0,1|1,0,1]=4 2360 B15R1.1035 C=CCCOC(CC)Cc1ccccc1 81646f0302f375748bfc29ea81091398 [0,0,1,0,0,1|1,0,1]=4 2361 B15R1.1035 CCC(Cc1ccccc1)NCCOC fbfc9592ea02b6cb04c7c785add65f7b [0,0,1,0,0,1|2,0,0]=4 2362 B15R1.1035 CCC(Cc1ccccc1)NCCSC 3711533432dc5e95f0d1af8fa9dcf83b [0,0,1,0,0,1|2,0,0]=4 2363 B15R1.1035 CCC(Cc1ccccc1)OCCC#N c4f2d518d98aebd981499f48f4ad05cd [0,0,1,0,0,1|2,0,0]=4 2364 B15R1.1035 CCC(Cc1ccccc1)OCCC=O 9b5530c10495335ab22fc40d40248a7f [0,0,1,0,0,1|2,0,0]=4 2365 B15R1.1035 CCC(Cc1ccccc1)OCCCF 076ebb9ce8f79670434b2d8ffd913e2f [0,0,1,0,0,1|2,0,0]=4 2366 B15R1.1035 CCC(Cc1ccccc1)OCCOC cfd009cf18600d4611c0c5f58c448fc6 [0,0,1,0,0,1|1,0,0]=3 2367 B15R1.1035 CCC(Cc1ccccc1)OCCSC 697c12e7506851ee645cc6801bfb41f7 [0,0,1,0,0,1|1,0,0]=3 2368 B15R1.1035 CCC(Cc1ccccn1)OCCOC 36c1cabf578fe6f3ead8ae8dee34d7fb [0,0,1,0,0,1|2,0,0]=4 2369 B15R1.1035 CCC(Cc1ccccn1)OCCSC b418aada4b6b37a704d31659858ff1bc [0,0,1,0,0,1|2,0,0]=4 2370 B15R1.1035 CCCCNC(CC)Cc1ccccc1 8a10862b13750a6673a20006c6926e20 [0,0,1,0,0,1|2,0,0]=4 2371 B15R1.1035 CCCCOC(CC)Cc1ccccc1 de61ceda8a716878da96b78e8f2dbbcf [0,0,1,0,0,1|1,0,0]=3 2372 B15R1.1035 CCCCOC(CC)Cc1ccccn1 b750f0b6a6a7c4c324a0a7b54bb290da [0,0,1,0,0,1|2,0,0]=4 2373 B15R1.4388 CCCC(NC(C)CC)c1ccccc1 c179fe2e97e0ff8f86557ce00c9845d2 [0,0,1,0,0,1|2,0,0]=4 2374 B15R1.4388 CCCC(OC(C)CC)c1ccccc1 b3bf4d779fa6c1c30b642883177b8d10 [0,0,1,0,0,1|2,0,0]=4 2375 B15R1.4388 CCC[C@@H](NC(C)CC)c1ccccc1 fd85433d05c39508525a5858fd8f4198 [0,0,1,0,0,1|2,0,0]=4 2376 B15R1.4388 CCC[C@@H](OC(C)CC)c1ccccc1 d64be4d44a78392b41298b6b3f5f4955 [0,0,1,0,0,1|2,0,0]=4 2377 B15R1.4388 CCC[C@H](NC(C)CC)c1ccccc1 f64cfa08d4e3647f4ee13d44c00b03b1 [0,0,1,0,0,1|2,0,0]=4 2378 B15R1.4388 CCC[C@H](OC(C)CC)c1ccccc1 037ca97f4dd3d67e5c0244dd6238cb2f [0,0,1,0,0,1|2,0,0]=4 2379 B15R1.962 CC(CF)OCCOCc1ccccc1 aa942220d51071743989549356c26be7 [0,0,1,0,0,1|2,0,0]=4 2380 B15R1.962 CC(CO)CNCOCc1ccccc1 116f6d0937090cc76a0b208251951379 [0,0,1,0,0,1|2,0,0]=4 2381 B15R1.962 CC(CO)NCCOCc1ccccc1 95a77cac67ce881ad1925e4aa809f82f [0,0,1,0,0,1|2,0,0]=4 2382 B15R1.962 CC(CS)OCCOCc1ccccc1 04a581b14401a2d9412d399501feee02 [0,0,1,0,0,1|2,0,0]=4 2383 B15R1.962 CCC(=O)NCCOCc1ccccc1 3251c24955f47f2334d1379aa33f9c04 [0,0,1,0,0,1|2,0,0]=4 2384 B15R1.962 CCC(=O)OCCOCc1ccccc1 2bf1646c536af54d351dacfc9f0a4807 [0,0,1,0,0,1|2,0,0]=4 2385 B15R1.962 CCC(C)CCCOCc1ccccc1 8ef74be099bf6f4c920205501eeef862 [0,0,1,0,0,1|1,0,0]=3 2386 B15R1.962 CCC(C)CCCOCc1ccccn1 550477c26c97c196baef775be0bdf16c [0,0,1,0,0,1|2,0,0]=4 2387 B15R1.962 CCC(C)CCCOCc1cccnc1 4e3ce8cdcfe103156195eca7f62dd954 [0,0,1,0,0,1|2,0,0]=4 2388 B15R1.962 CCC(C)CCNCCc1ccccc1 f9ee6b2cc07aee9f196817582c85c21d [0,0,1,0,0,1|2,0,0]=4 2389 B15R1.962 CCC(C)CCNCSc1ccccc1 b51cbaa8d52993959242174b0ba62b35 [0,0,1,0,0,1|2,0,0]=4 2390 B15R1.962 CCC(C)CCOCCc1ccccc1 1097ac5a5b9bae926ce31705849d1fb4 [0,0,1,0,0,1|1,0,0]=3 2391 B15R1.962 CCC(C)CCOCCc1ccccn1 3ce52b9afb78220badb9bd18d6ac7a3a [0,0,1,0,0,1|2,0,0]=4 2392 B15R1.962 CCC(C)CCOCCc1cccnc1 a2250d85b11f69c2d4792825ab9d1b58 [0,0,1,0,0,1|2,0,0]=4 2393 B15R1.962 CCC(C)CCOCCc1ccncc1 527cf5246f9628a3b8424eddf3d31531 [0,0,1,0,0,1|2,0,0]=4 2394 B15R1.962 CCC(C)CNCCCc1ccccc1 56d959b4fea94c66551bf9529e88f776 [0,0,1,0,0,1|2,0,0]=4 2395 B15R1.962 CCC(C)CNCOCc1ccccc1 653d5ff4e033cfe659879a5497efdff4 [0,0,1,0,0,1|1,0,0]=3 2396 B15R1.962 CCC(C)COCCCc1ccccc1 eb9e1c66bdbe75001412fee4fcf25b60 [0,0,1,0,0,1|2,0,0]=4 2397 B15R1.962 CCC(C)COCSCc1ccccc1 74d2653ec7ca956b12aefdcde8b89827 [0,0,1,0,0,1|1,1,0]=4 2398 B15R1.962 CCC(C)NCCCCc1ccccc1 ca29a3ce2f6ee1069d588ca420514c51 [0,0,1,0,0,1|2,0,0]=4 2399 B15R1.962 CCC(C)NCCOCc1ccccc1 d62f974e8ea5a1e3ba11e18c1fe93116 [0,0,1,0,0,1|1,0,0]=3 2400 B15R1.962 CCC(C)NCCSCc1ccccc1 50552df975fa0afcc1e9b4bc591177a2 [0,0,1,0,0,1|1,1,0]=4 2401 B15R1.962 CCC(C)OCCCCc1ccccc1 9af0a17d5d6ef10a2504d32b94f10262 [0,0,1,0,0,1|2,0,0]=4 2402 B15R1.962 CCC(C)OCCOCc1ccccc1 48311a0869962b45daca2cb61d51a195 [0,0,1,0,0,1|1,0,0]=3 2403 B15R1.962 CCC(C)OCCSCc1ccccc1 c6f8e250b65ada9fd7e70f306ef78e62 [0,0,1,0,0,1|1,1,0]=4 2404 B15R1.962 CCC(O)CNCOCc1ccccc1 b73640d1e77d5a6171aac45eef416604 [0,0,1,0,0,1|2,0,0]=4 2405 B15R1.962 CCC(S)CCOCCc1ccccc1 3cba491bcbba1ffef2adeead597dbdfc [0,0,1,0,0,1|2,0,0]=4 2406 B15R1.962 CCN(C)CCCCCc1ccccc1 8d81542c567e53d834ce8cf8eb63f90e [0,0,1,0,0,1|1,0,0]=3 2407 B15R1.962 CCN(C)CCCCOc1ccccc1 70d24b5c3cf996c787fd5b6785772356 [0,0,1,0,0,1|1,0,0]=3 2408 B15R1.962 CCN(C)CCCNCc1ccccc1 e8846833a5641b787452e627abdebcc3 [0,0,1,0,0,1|1,0,0]=3 2409 B15R1.962 CCN(C)CCCNCc1ccccn1 396e797f3934893889f2927e866ad89a [0,0,1,0,0,1|2,0,0]=4 2410 B15R1.962 CCN(C)CCCNCc1cccnc1 08e122f64481174e3a0c7bf831a5cdf1 [0,0,1,0,0,1|2,0,0]=4 2411 B15R1.962 CCN(C)CCCOCc1ccccc1 7e130cbdfdb4bbc7101b7e797f9ed734 [0,0,1,0,0,1|0,0,0]=2 2412 B15R1.962 CCN(C)CCCOCc1ccccn1 2705bf82807afca9c5dc2bd08a3914f2 [0,0,1,0,0,1|1,0,0]=3 2413 B15R1.962 CCN(C)CCCOCc1cccnc1 d7fe624abc47346c23a178a5711cd76e [0,0,1,0,0,1|1,0,0]=3 2414 B15R1.962 CCN(C)CCCOCc1cccnn1 11727d8464bd7d81e8215f81725958c8 [0,0,1,0,0,1|2,0,0]=4 2415 B15R1.962 CCN(C)CCCOCc1ccncn1 b0beeb8c2cec863c20c5a816bfc48e14 [0,0,1,0,0,1|2,0,0]=4 2416 B15R1.962 CCN(C)CCCOCc1cncnc1 485d32afc07a109159e33495a05b7657 [0,0,1,0,0,1|2,0,0]=4 2417 B15R1.962 CCN(C)CCCOCc1ncccn1 35dfbde37d09456bfa2c66d0a5124832 [0,0,1,0,0,1|2,0,0]=4 2418 B15R1.962 CCS(=O)CCOCCc1ccccc1 3268fca03790080b86cef1c80e32984d [0,0,1,0,0,1|2,0,0]=4 2419 B15R1.962 CC[C@@H](C)CNCCCc1ccccc1 7a5cf53f72f7d3e4d32a4c4e9a241134 [0,0,1,0,0,1|2,0,0]=4 2420 B15R1.962 CC[C@@H](C)COCCCc1ccccc1 1b9b50d47806f0a3ee21b09d84fa2be8 [0,0,1,0,0,1|2,0,0]=4 2421 B15R1.962 CC[C@@H](C)COCSCc1ccccc1 97f31ae1e5d6e189e78421f37ad84ce8 [0,0,1,0,0,1|1,1,0]=4 2422 B15R1.962 CC[C@@H](C)NCCCCc1ccccc1 09f646431c1379a13c02b27bb9b01cf5 [0,0,1,0,0,1|2,0,0]=4 2423 B15R1.962 CC[C@@H](C)NCCOCc1ccccc1 4c12728f16c880fec9b68be5be8b7317 [0,0,1,0,0,1|1,0,0]=3 2424 B15R1.962 CC[C@@H](C)NCCSCc1ccccc1 0cf8ac77bcba7263b46f07dfc10e37e8 [0,0,1,0,0,1|1,1,0]=4 2425 B15R1.962 CC[C@@H](C)OCCCCc1ccccc1 bdcbd8a652cc7ee654db25b63da6b312 [0,0,1,0,0,1|2,0,0]=4 2426 B15R1.962 CC[C@@H](C)OCCOCc1ccccc1 ccc360a5bf2fc33d2f3256c61283c9df [0,0,1,0,0,1|1,0,0]=3 2427 B15R1.962 CC[C@@H](C)OCCSCc1ccccc1 d1d0526f6c021554c88057dd0dd44853 [0,0,1,0,0,1|1,1,0]=4 2428 B15R1.962 CC[C@@H](O)CNCOCc1ccccc1 b00ebc2d1a8e8831f49488a9cd6eb89c [0,0,1,0,0,1|2,0,0]=4 2429 B15R1.962 CC[C@H](C)CCCOCc1ccccc1 0ea281120448ab5829fcc8636bb454e7 [0,0,1,0,0,1|1,0,0]=3 2430 B15R1.962 CC[C@H](C)CCCOCc1ccccn1 0e6590bda945af3ee3456914dace96b6 [0,0,1,0,0,1|2,0,0]=4 2431 B15R1.962 CC[C@H](C)CCCOCc1cccnc1 bf9e8c0ff9812350834e7f8ea59586dd [0,0,1,0,0,1|2,0,0]=4 2432 B15R1.962 CC[C@H](C)CCOCCc1ccccc1 e20ad081748dbc9cae591e61113b1114 [0,0,1,0,0,1|1,0,0]=3 2433 B15R1.962 CC[C@H](C)CCOCCc1ccccn1 aebdbf2d0c79c082c641d0ce4c641562 [0,0,1,0,0,1|2,0,0]=4 2434 B15R1.962 CC[C@H](C)CCOCCc1cccnc1 0985601064f1a7bf98c248591680293a [0,0,1,0,0,1|2,0,0]=4 2435 B15R1.962 CC[C@H](C)CCOCCc1ccncc1 b0f81803f3467d5f812b6a1cb2bfba7d [0,0,1,0,0,1|2,0,0]=4 2436 B15R1.962 CC[C@H](C)CNCCCc1ccccc1 1ef6df2888fb219267459c39c61b084d [0,0,1,0,0,1|2,0,0]=4 2437 B15R1.962 CC[C@H](C)CNCOCc1ccccc1 ae9d5b1c2c7943d20de2d2f3054cf2a0 [0,0,1,0,0,1|1,0,0]=3 2438 B15R1.962 CC[C@H](C)COCCCc1ccccc1 9fbdf3d3f9c90b041180d231304de307 [0,0,1,0,0,1|2,0,0]=4 2439 B15R1.962 CC[C@H](C)COCSCc1ccccc1 33a9c6a4990c964b540360110f7cd9d9 [0,0,1,0,0,1|1,1,0]=4 2440 B15R1.962 CC[C@H](C)NCCCCc1ccccc1 35b7d359a89ae2df631f2c45ab375e2c [0,0,1,0,0,1|2,0,0]=4 2441 B15R1.962 CC[C@H](C)NCCOCc1ccccc1 44bb1310678132dd984c9745806c2ca5 [0,0,1,0,0,1|1,0,0]=3 2442 B15R1.962 CC[C@H](C)NCCSCc1ccccc1 f2b543b41bbab0642d15d223a03de8b4 [0,0,1,0,0,1|1,1,0]=4 2443 B15R1.962 CC[C@H](C)OCCCCc1ccccc1 83e6be20c67017a3911b96bf6ac1c456 [0,0,1,0,0,1|2,0,0]=4 2444 B15R1.962 CC[C@H](C)OCCOCc1ccccc1 33b57b96a04e86ddcc63916e4b025a86 [0,0,1,0,0,1|1,0,0]=3 2445 B15R1.962 CC[C@H](C)OCCSCc1ccccc1 33d3a6789b7acb97498b8b9a9ede6334 [0,0,1,0,0,1|1,1,0]=4 2446 B15R1.962 CN(C#N)CCOCCc1ccccc1 d2037864bd452014386e8e523b16bb6f [0,0,1,0,0,1|1,0,1]=4 2447 B15R1.962 CN(C=O)CCCOCc1ccccc1 8d093c17cb1d208d254a8ec0f81e15ca [0,0,1,0,0,1|1,0,1]=4 2448 B15R1.962 CN(C=O)CCOCCc1ccccc1 6f91ae892baac36387b39e26db3bc441 [0,0,1,0,0,1|1,0,1]=4 2449 B15R1.962 CN(C=O)CCOCSc1ccccc1 f193241ff02b745a6ce2d1781a287ad6 [0,0,1,0,0,1|1,0,1]=4 2450 B15R1.962 CN(CF)CCCOCc1ccccc1 86d3b510041578696851bb38afc62c64 [0,0,1,0,0,1|1,0,0]=3 2451 B15R1.962 COC(C)CCOCCc1ccccc1 806eb5efd38c1e3109720f345d3643aa [0,0,1,0,0,1|2,0,0]=4 2452 B15R1.962 COC(C)COCOCc1ccccc1 9b926740e1f8c470551ee9f484999718 [0,0,1,0,0,1|2,0,0]=4 2453 B15R1.962 CO[C@@H](C)CNCOCc1ccccc1 109a6b190ae3903bb2362b97ffc1d092 [0,0,1,0,0,1|2,0,0]=4 2454 B15R1.962 CO[C@@H](C)COCOCc1ccccc1 5b3feb5de0d69069bd21d72deaa122da [0,0,1,0,0,1|2,0,0]=4 2455 B15R1.962 CO[C@H](C)CNCOCc1ccccc1 099f2110de476184c9a782977ea5b5c7 [0,0,1,0,0,1|2,0,0]=4 2456 B15R1.962 CO[C@H](C)COCOCc1ccccc1 e591c4269e95cc2524e32da06429f6fc [0,0,1,0,0,1|2,0,0]=4 2457 B15R1.962 C[C@@H](CO)NCCOCc1ccccc1 129eb18248c80700584c1270f0863934 [0,0,1,0,0,1|2,0,0]=4 2458 B15R1.962 C[C@H](CO)CNCOCc1ccccc1 fc043e2568506a980cdd293dd9e3badf [0,0,1,0,0,1|2,0,0]=4 2459 B15R1.962 C[C@H](CO)NCCOCc1ccccc1 1ab790bd02a294c8213e7d8944f4a928 [0,0,1,0,0,1|2,0,0]=4 2460 B15R1.962 C[C@H](CS)OCCOCc1ccccc1 ac98356b14d14224d6c3f8e6fef1c756 [0,0,1,0,0,1|2,0,0]=4 2461 B15R1.523 CCC(NC(C)C(C)C)c1ccccc1 3d554a765a37e4395acdd722aa921d8e [0,0,1,0,0,1|2,0,0]=4 2462 B15R1.523 CCC(N[C@@H](C)C(C)C)c1ccccc1 b97f456adac4cfc6554cc2e6c317a5b3 [0,0,1,0,0,1|2,0,0]=4 2463 B15R1.523 CCC(N[C@H](C)C(C)C)c1ccccc1 d6564b5661ae6d2549105ea60c661f08 [0,0,1,0,0,1|2,0,0]=4 2464 B15R1.523 CCC(OC(C)C(C)C)c1ccccc1 c77aaddf8a0baf538a89d543edb882df [0,0,1,0,0,1|2,0,0]=4 2465 B15R1.523 CCC(O[C@@H](C)C(C)C)c1ccccc1 b659a1e06f91c2a55163661d982ab243 [0,0,1,0,0,1|2,0,0]=4 2466 B15R1.523 CCC(O[C@H](C)C(C)C)c1ccccc1 a3a00b371da9bc7e4e525f8297ac17e1 [0,0,1,0,0,1|2,0,0]=4 2467 B15R1.523 CC[C@@H](OC(C)C(C)C)c1ccccc1 53763fe8e3fc6a32242b6bef71aebc78 [0,0,1,0,0,1|2,0,0]=4 2468 B15R1.523 CC[C@H](OC(C)C(C)C)c1ccccc1 6b74fb147f6de4a9a4fc2d645368ec67 [0,0,1,0,0,1|2,0,0]=4 2469 B15R2.31 CC1CCCC(C1)Nc2ccccc2 11e12b7381ef61b4b561d22337b940c8 [1,0,0,0,0,1|2,0,0]=4 2470 B15R2.31 CN1CCCC(C1)Nc2ccccc2 022ab792c96b642b5c67f3ef4b69bf0e [1,0,0,0,0,1|1,0,0]=3 2471 B15R2.31 CN1CCCC(C1)Nc2cccnc2 4d3c20f0cd46eec2554279f7c4b29f22 [1,0,0,0,0,1|2,0,0]=4 2472 B15R2.31 CN1CCC[C@@H](C1)Nc2ccccc2 69abf7d1a77aaf6e449c3deeebdc0b16 [1,0,0,0,0,1|1,0,0]=3 2473 B15R2.31 CN1CCC[C@@H](C1)Nc2ccccn2 59ab925da39cefb6027223fc606bb366 [1,0,0,0,0,1|2,0,0]=4 2474 B15R2.31 CN1CCC[C@@H](C1)Nc2cccnc2 02b25a67227bf7bdacffa4951f181f4b [1,0,0,0,0,1|2,0,0]=4 2475 B15R2.31 CN1CCC[C@@H](C1)Nc2ccncc2 73dd9c0d59009efb6ff0a6ae5587418f [1,0,0,0,0,1|2,0,0]=4 2476 B15R2.31 CN1CCC[C@@H](C1)Oc2ccccn2 5c488621c8c443fed0edc537b633856e [1,0,0,0,0,1|2,0,0]=4 2477 B15R2.31 CN1CCC[C@H](C1)Nc2ccccc2 6798a8a92fe5febf1c79c3766174f597 [1,0,0,0,0,1|1,0,0]=3 2478 B15R2.31 CN1CCC[C@H](C1)Nc2ccccn2 1dacf8317b7078a1e5c07e1ac1bd45ca [1,0,0,0,0,1|2,0,0]=4 2479 B15R2.31 CN1CCC[C@H](C1)Nc2cccnc2 cc42fadc93427f98cca1e5539a51f706 [1,0,0,0,0,1|2,0,0]=4 2480 B15R2.31 CN1CCC[C@H](C1)Nc2ccncc2 2d13d6cbfbf4f75fb6696bedbf0a7351 [1,0,0,0,0,1|2,0,0]=4 2481 B15R2.31 CN1CCC[C@H](C1)Oc2ccccn2 d7337c8c90e0da921339fad098c09589 [1,0,0,0,0,1|2,0,0]=4 2482 B15R2.31 C[C@@H]1CCC[C@H](C1)Nc2ccccc2 a5487b5c55390ea6d3deec1adaaceba3 [1,0,0,0,0,1|2,0,0]=4 2483 B17R2.5274 CC1CCCC(C1C)NCc2ccccc2 a0eb8f43c464c7f67190f15fcf2e1a57 [0,0,0,0,0,2|2,0,0]=4 2484 B17R2.5274 CC1CCCC(C1C)OCc2ccccc2 032310a388bde76a61a3c1f9a36f78f3 [0,0,0,0,0,2|2,0,0]=4 2485 B17R2.19982 CC1CN(CCCN1Cc2ccccc2)C 11460277a66e203a949f95f49977ad84 [0,0,0,0,0,2|2,0,0]=4 2486 B17R2.19982 C[C@@H]1CN(CCCN1Cc2ccccc2)C 441faa4b4a21bcea13dbc40924ab8c92 [0,0,0,0,0,2|2,0,0]=4 2487 B17R2.19982 C[C@H]1CN(CCCN1Cc2ccccc2)C 1aef99580d6ee4672aca7df365432c0f [0,0,0,0,0,2|2,0,0]=4 2488 B17R2.24151 CC1CN(CCCN1C)Cc2ccccc2 47842152df942a4d8b283edbf1482190 [0,0,0,0,0,2|2,0,0]=4 2489 B17R2.24151 C[C@@H]1CN(CCCN1C)Cc2ccccc2 e3eee0197b74f8b5ea44266ef9502d4e [0,0,0,0,0,2|2,0,0]=4 2490 B17R2.24151 C[C@H]1CN(CCCN1C)Cc2ccccc2 f6ea1f45e2179d4c80a0c85f68b66388 [0,0,0,0,0,2|2,0,0]=4