0  B6R0.1  C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,0,1,0,0,0|2,0,1]=4
1  B6R0.1  C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,0,1,0,0,0|2,0,1]=4
2  B6R0.4  C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,0,1,0,0,0|2,0,1]=4
3  B6R0.6  CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,1,0,0,0|2,0,1]=4
4  B7R0.3  C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,1,1,0,0,0|0,0,2]=4
5  B7R0.3  C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,1,0,0,0|0,0,2]=4
6  B7R0.3  C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,1,0,0,0|0,0,2]=4
7  B7R0.7  C=CCN(C)CC=C 856b0b2931bf1f2cca7f9613f6a91787 [0,1,1,0,0,0|1,0,1]=4
8  B7R0.4  C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,1,1,0,0,0|0,0,2]=4
9  B7R0.4  C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,1,1,0,0,0|0,0,2]=4
10  B7R0.1  C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,1,1,0,0,0|0,0,2]=4
11  B7R0.1  C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,1,1,0,0,0|0,0,2]=4
12  B7R0.1  C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,1,1,0,0,0|0,0,2]=4
13  B7R0.1  C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,1,1,0,0,0|0,0,2]=4
14  B9R1.8  CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [0,2,0,0,0,0|0,0,0]=2
15  B9R1.8  CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,2,0,0,0,0|1,0,0]=3
16  B9R1.8  CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,2,0,0,0,0|1,0,0]=3
17  B9R1.8  CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [0,2,0,0,0,0|2,0,0]=4
18  B9R1.8  CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [0,2,0,0,0,0|1,0,0]=3
19  B9R1.8  CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [0,2,0,0,0,0|2,0,0]=4
20  B9R1.8  CCNc1ccnnc1 84df08ea46526da8091efc8e7dc98bc3 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.8  CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [0,2,0,0,0,0|2,0,0]=4
22  B9R1.8  CCNc1cncnc1 d22064ed1cc1956224a6568ef26d5099 [0,2,0,0,0,0|2,0,0]=4
23  B9R1.8  CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [0,2,0,0,0,0|2,0,0]=4
24  B9R1.8  CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [0,2,0,0,0,0|1,0,0]=3
25  B9R1.8  CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [0,2,0,0,0,0|1,0,0]=3
26  B9R1.8  CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [0,2,0,0,0,0|1,0,0]=3
27  B9R1.8  CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [0,2,0,0,0,0|2,0,0]=4
28  B9R1.8  CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.8  CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [0,2,0,0,0,0|2,0,0]=4
30  B9R1.8  CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [0,2,0,0,0,0|2,0,0]=4
31  B9R1.8  FCNc1ccccc1 c8185de2a7206057ede93409452a493c [0,2,0,0,0,0|0,0,0]=2
32  B9R1.8  FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [0,2,0,0,0,0|1,0,0]=3
33  B9R1.8  FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [0,2,0,0,0,0|1,0,0]=3
34  B9R1.8  FCNc1cccnn1 b8bf7f385d541b86a7f5923a27fa760f [0,2,0,0,0,0|2,0,0]=4
35  B9R1.8  FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [0,2,0,0,0,0|1,0,0]=3
36  B9R1.8  FCNc1ccncn1 3985bc8bdaefccce56c4c94f092d4343 [0,2,0,0,0,0|2,0,0]=4
37  B9R1.8  FCNc1ccnnc1 bbb607e362c8df8df0e1a73eff88c7de [0,2,0,0,0,0|2,0,0]=4
38  B9R1.8  FCNc1cnccn1 3cbe94cf9594c68ec8b94825e8905ed8 [0,2,0,0,0,0|2,0,0]=4
39  B9R1.8  FCNc1cncnc1 49689598886657fafe98ac3f8f7ecc0b [0,2,0,0,0,0|2,0,0]=4
40  B9R1.8  FCNc1ncccn1 3a7b3466aa5c957afc7c3f30aab56590 [0,2,0,0,0,0|2,0,0]=4
41  B9R1.8  FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [0,2,0,0,0,0|1,0,0]=3
42  B9R1.8  FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [0,2,0,0,0,0|1,0,0]=3
43  B9R1.8  FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [0,2,0,0,0,0|1,0,0]=3
44  B9R1.8  FCOc1ccnnc1 05f5ab7b1fae92c97a253676b278beab [0,2,0,0,0,0|2,0,0]=4
45  B9R1.8  FCOc1cnccn1 e656ed16372ac6d21dfc0a12172339fc [0,2,0,0,0,0|2,0,0]=4
46  B9R1.8  FCOc1cncnc1 dbacbc810d9b1ecd830119e3cd67df78 [0,2,0,0,0,0|2,0,0]=4
47  B9R1.8  FCOc1ncccn1 e56294909723d2bb0cb4671cfab08325 [0,2,0,0,0,0|2,0,0]=4
48  B9R1.8  O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [0,2,0,0,0,0|1,0,1]=4
49  B9R1.8  O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [0,2,0,0,0,0|1,0,1]=4
50  B9R1.8  O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [0,2,0,0,0,0|1,0,1]=4
51  B9R1.8  OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [0,2,0,0,0,0|0,0,0]=2
52  B9R1.8  OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [0,2,0,0,0,0|1,0,0]=3
53  B9R1.8  OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [0,2,0,0,0,0|1,0,0]=3
54  B9R1.8  OCNc1cccnn1 d8959988e09873d44f8b640f1fe386e3 [0,2,0,0,0,0|2,0,0]=4
55  B9R1.8  OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [0,2,0,0,0,0|1,0,0]=3
56  B9R1.8  OCNc1ccncn1 5807087c5c4108ffa8c52d7444f962d7 [0,2,0,0,0,0|2,0,0]=4
57  B9R1.8  OCNc1ccnnc1 3894cb787e7b8600c63a04771d062bff [0,2,0,0,0,0|2,0,0]=4
58  B9R1.8  OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [0,2,0,0,0,0|2,0,0]=4
59  B9R1.8  OCNc1cncnc1 f94e24e43a9b982a2515c894be0cdeee [0,2,0,0,0,0|2,0,0]=4
60  B9R1.8  OCNc1ncccn1 9fc76ad0c84f53b08af40c3faa9bb85c [0,2,0,0,0,0|2,0,0]=4