0 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,0,1,0,0,0|1,0,2]=4 1 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,0,1,0,0,0|1,0,2]=4 2 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,0,1,0,0,0|1,0,2]=4 3 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,0,1,0,0,0|1,0,2]=4 4 B8R0.9 C#CC(=O)NCC(=C)C 4b9a48576964b8bd3954febe0390bc91 [0,0,1,0,0,0|1,0,2]=4 5 B8R0.9 C=C(Br)CNC(=O)C=O 7d350d35aca973aa90c3864d6fc58f6c [0,0,1,0,0,0|1,0,2]=4 6 B8R0.9 C=C(Br)CNC(=O)CO 5926a7122547338dc7794442d8cc8a79 [0,0,1,0,0,0|1,0,2]=4 7 B8R0.9 C=C(C)CNC(=O)C=O e25a86e0bb63ccbe7ba4554fc95b9a26 [0,0,1,0,0,0|0,0,2]=3 8 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,0,1,0,0,0|1,0,2]=4 9 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,0,1,0,0,0|1,0,2]=4 10 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,0,1,0,0,0|0,0,2]=3 11 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,0,1,0,0,0|0,1,2]=4 12 B8R0.9 C=CC(=O)NCC(=C)Br 2e21d26328f782b9e48aebcf69e49a2d [0,0,1,0,0,0|2,0,1]=4 13 B8R0.9 C=CC(=O)NCC(=C)C 7a9df38faaf26b94fb6f7de2a447189d [0,0,1,0,0,0|1,0,1]=3 14 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,0,1,0,0,0|2,0,1]=4 15 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,0,1,0,0,0|1,0,2]=4 16 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,0,1,0,0,0|1,0,2]=4 17 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,0,1,0,0,0|0,0,2]=4 18 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [1,0,1,0,0,0|0,0,2]=4 19 B9R0.7 C=C(Br)C(=O)NCC(=O)C 5a8a7e5124d4bbc4f35ddddbeb83bd7b [0,1,1,0,0,0|1,0,1]=4 20 B9R0.7 C=C(C)C(=O)NCC(=O)C 8dd3fae3fe2a44083754a0af37142576 [0,1,1,0,0,0|1,0,1]=4 21 B9R0.7 C=C(C)CNC(=O)C(=C)Br 3ad813ab2cf025eaa440d0eb3c415450 [0,1,1,0,0,0|1,0,1]=4 22 B9R0.7 C=C(C)CNC(=O)C(=C)C f323d5f5ace5a0238527a8e48c4cb531 [0,1,1,0,0,0|1,0,1]=4 23 B9R0.7 C=C(C)CNC(=O)C(=C)Cl 6c5ee5b40971be146a21fbd1c37fbf27 [0,1,1,0,0,0|1,0,1]=4 24 B9R0.7 C=C(C)CNC(=O)C(=C)F d72157494381197746ce22f35c342aed [0,1,1,0,0,0|1,0,1]=4 25 B9R0.7 C=C(Cl)C(=O)NCC(=O)C d5cbc484ab89b4b653518af0dedd3817 [0,1,1,0,0,0|1,0,1]=4 26 B9R0.7 C=C(F)C(=O)NCC(=O)C 95b633dfd5563ecbe8426e5bc7f25528 [0,1,1,0,0,0|1,0,1]=4 27 B9R0.47 C=C(Br)C(=O)NCC=CC 017b373dd517a7aaa64539da8808ceae [0,1,1,0,0,0|1,0,0]=3 28 B9R0.47 C=C(C)C(=O)NCC=CC 58a9501166886f3968622ec622e3155d [0,1,1,0,0,0|1,0,0]=3 29 B9R0.47 C=C(Cl)C(=O)NCC=CC 223ce5fb83b8c06e369682e31421a847 [0,1,1,0,0,0|1,0,0]=3 30 B9R0.47 C=C(F)C(=O)NCC=CC f79eb681cf587744a217f4fe30055461 [0,1,1,0,0,0|1,0,0]=3 31 B9R0.47 CC=CCNC(=O)C(=O)C 7ec7ded94a2b7899cf7876932181fb94 [0,1,1,0,0,0|0,0,2]=4 32 B9R0.47 CC=CCNC(=O)C(=O)N 792973965a7c079de2a0d7fe2b14ff8d [0,1,1,0,0,0|1,0,1]=4 33 B9R0.47 CC=CCNC(=O)C(C)O c28253caedfd89b3e9028d418fa2b7f3 [0,1,1,0,0,0|0,0,2]=4 34 B9R0.47 CC=CCNC(=O)C(O)O 402ed7aa011126e6345455ddbc9b64b3 [0,1,1,0,0,0|1,0,1]=4 35 B9R0.47 CC=CCNC(=O)[C@@H](C)O 2edc32fa9e700719f49f219f688c81c2 [0,1,1,0,0,0|0,0,2]=4 36 B9R0.47 CC=CCNC(=O)[C@H](C)O 7f0c42df980ff5b419e7a53a830bf50f [0,1,1,0,0,0|0,0,2]=4 37 B11R1.81 Cc1ccc(c(c1)C)NC=O b6de18d6a5af664cf7380b594d55222f [0,2,0,0,0,0|2,0,0]=4 38 B11R1.81 Cc1ccc(c(c1)F)NC=O 69fcfd4caa06192a19152662c4d96683 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.81 Cc1ccc(c(c1)I)NC=O 1fffdd066788e8f79f9621c7bc8c55f9 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.81 Cc1ccc(c(c1)S)NC=O dc1b5e412e375e54febfa038f02f3bd5 [0,2,0,0,0,0|1,1,0]=4 41 B11R1.81 Cc1cnc(c(c1)C)NC=O 35148d112061a6a7d0f84521a8336acf [0,2,0,0,0,0|1,0,1]=4 42 B11R1.81 Cc1cnc(c(c1)I)NC=O a4d8c7a2f573cee070a5e05f446bd68a [0,2,0,0,0,0|1,0,1]=4 43 B11R1.182 CCNc1cc(n[nH]c1=O)C 9dc37c07f7932732318ca813148b6e37 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.182 CCNc1nc(c[nH]c1=O)C 87d8a04513b2c05e4679c9331ec4d6ab [0,2,0,0,0,0|2,0,0]=4 45 B11R1.182 CCOc1cc(ccc1C)C 893e13c8ec446dcfdb4e9b78894639f9 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.182 CCOc1cc(ccc1Cl)C 4387a150c46e515c0cce44f82cbade85 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.182 CCOc1cc(ccc1F)C f155440a146f6a81965dabfc134b408c [0,2,0,0,0,0|2,0,0]=4 48 B11R1.182 CCOc1cc(ccc1I)C 80fd3f50a52eb6a4385ddbfbfd90160b [0,2,0,0,0,0|2,0,0]=4 49 B11R1.182 CCOc1cc(cnc1Br)C 736dda7920b455becb3311490e9ec1c7 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.182 CCOc1cc(cnc1Cl)C 0cf98728d61dbf42a8b8a973fc5575fb [0,2,0,0,0,0|1,0,1]=4 51 B11R1.182 CCOc1cc(cnc1F)C ae703b57bbc3744143a8237a8fbe1f3a [0,2,0,0,0,0|1,0,1]=4 52 B11R1.182 CCOc1cn(ccc1=O)C c6a7fbc187127a2288764e21e71457fd [0,2,0,0,0,0|2,0,0]=4 53 B11R1.182 Cc1c[nH]c(=O)c(n1)NCF 415780ed8ef8c3bc1c38203fa3a0cdf5 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.182 Cc1c[nH]c(=O)c(n1)NCO 614dc1d4c8c58f6d1a681e885d34fdc8 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.182 Cc1cc(c(=O)[nH]n1)NCF a556dfb66be9843b60bd767092b417d7 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.182 Cc1cc(c(=O)[nH]n1)NCO a3dd1de071280a15d68095f397789392 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.182 Cc1ccc(c(c1)NCO)I ea21d2404acfb0bc1e4557d14b0cb234 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.182 Cc1ccc(c(c1)OCF)C 96df032743f0cd4506146c947edee028 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.182 Cc1ccc(c(c1)OCF)Cl 11d2d673a71c072da633f8fddadac94d [0,2,0,0,0,0|2,0,0]=4 60 B11R1.182 Cc1ccc(c(c1)OCF)F 205ba77a7e5317dcc107fc1b95af5638 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.182 Cc1cnc(c(c1)NCO)Br a08de6bf99c0aac831033e346d725d5b [0,2,0,0,0,0|1,0,1]=4 62 B11R1.182 Cc1cnc(c(c1)NCO)C 1fa7fa269cc131e60c1c45a488582948 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.182 Cc1cnc(c(c1)NCO)Cl 0ee7392c6024400ec87d0b8972b6db5c [0,2,0,0,0,0|1,0,1]=4 64 B11R1.182 Cc1cnc(c(c1)NCO)F 70d83421c62ef78137b203c6f64a19dd [0,2,0,0,0,0|1,0,1]=4 65 B11R1.182 Cc1cnc(c(c1)OCF)Br ff7c48181fa826346602e1945d6dd839 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.182 Cc1cnc(c(c1)OCF)Cl ce36a51c1a255f33c67a26e3b0675c91 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.182 Cc1cnc(c(c1)OCF)F b7af2c060cd9ec541e82aa0682ebb5ee [0,2,0,0,0,0|1,0,1]=4 68 B11R1.182 Cn1ccc(=O)c(c1)OCF 9d815bb0fb7b87fba75daf31119fe19b [0,2,0,0,0,0|2,0,0]=4 69 B11R1.182 O=c1[nH]nc(cc1NCO)Cl 66181018851524343ead2131f7f4139e [0,2,0,0,0,0|2,0,0]=4 70 B9R1.12 O=CNCc1ccoc1 2c2ecd250ae8d80c965c3936a532f64f [0,0,1,1,0,0|0,0,2]=4 71 B9R1.12 O=CNCc1ccon1 05a7c7357b01af9907ee2695fef4fb77 [0,0,1,1,0,0|1,0,1]=4 72 B9R1.33 Cc1conc1NC=O cc1a3870a059c4185bc37d88c6fa621d [0,0,1,1,0,0|2,0,0]=4 73 B9R1.33 Cc1cscc1NC=O 2ba12c3794d46c1d3825528ca0b0cc91 [0,0,1,1,0,0|2,0,0]=4 74 B9R1.33 Cc1ncsc1NC=O 9ce065a598efb44ea1079e1d362e476d [0,0,1,1,0,0|1,1,0]=4 75 B9R1.33 Cc1sccc1NC=O 182c82464adb5dcd1d12fd78a8801218 [0,0,1,1,0,0|2,0,0]=4 76 B9R0.1 C=C(C)CCNC(=O)C=O 9148a6ce8e756b969aa569b20bbfa438 [0,0,1,0,0,1|0,0,2]=4 77 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,0,1,0,0,1|0,0,2]=4 78 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,0,1,0,0,1|0,0,2]=4 79 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,0,1,0,0,1|1,0,1]=4 80 B9R0.1 C=CC(=O)NCC=C(C)C 256f5da9498fddbe2d5756905944a6d0 [0,0,1,0,0,1|1,0,1]=4 81 B9R0.1 C=CC(=O)NCCC(=C)C 290771122b4cd28b8f8ffeaa6a130b36 [0,0,1,0,0,1|1,0,1]=4 82 B9R0.1 CC(=CCNC(=O)C=O)C a7df181c4e1308145b4511ca1623989d [0,0,1,0,0,1|0,0,2]=4 83 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,0,1,0,0,1|0,0,2]=4