RelNo | Symbol | Name | Class | References
|
| 1 | C-001 | CH3R / CH4 | atom-centred fragments |
Viswanadhan, V.N., Ghose, A.K.,
Revankar, G.R. &
Robins, R.K.,
J. Chem. inf. Comput. Sci.,
(1989), 29,163-172.
|
| 2 | C-002 | CH2R2 | atom-centred fragments |
| 3 | C-003 | CHR3 | atom-centred fragments |
| 4 | C-004 | CR4 | atom-centred fragments |
| 5 | C-005 | CH3X | atom-centred fragments |
| 6 | C-006 | CH2RX | atom-centred fragments |
| 7 | C-007 | CH2X2 | atom-centred fragments |
| 8 | C-008 | CHR2X | atom-centred fragments |
| 9 | C-009 | CHRX2 | atom-centred fragments |
| 10 | C-010 | CHX3 | atom-centred fragments |
| 11 | C-011 | CR3X | atom-centred fragments |
| 12 | C-012 | CR2X2 | atom-centred fragments |
| 13 | C-013 | CRX3 | atom-centred fragments |
| 14 | C-014 | CX4 | atom-centred fragments |
| 15 | C-015 | =CH2 | atom-centred fragments |
| 16 | C-016 | =CHR | atom-centred fragments |
| 17 | C-017 | =CR2 | atom-centred fragments |
| 18 | C-018 | =CHX | atom-centred fragments |
| 19 | C-019 | =CRX | atom-centred fragments |
| 20 | C-020 | =CX2 | atom-centred fragments |
| 21 | C-021 | #CH | atom-centred fragments |
| 22 | C-022 | #CR / R=C=R | atom-centred fragments |
| 23 | C-023 | #CX | atom-centred fragments |
| 24 | C-024 | R--CH--R | atom-centred fragments |
| 25 | C-025 | R--CR--R | atom-centred fragments |
| 26 | C-026 | R--CX--R | atom-centred fragments |
| 27 | C-027 | R--CH--X | atom-centred fragments |
| 28 | C-028 | R--CR--X | atom-centred fragments |
| 29 | C-029 | R--CX--X | atom-centred fragments |
| 30 | C-030 | X--CH--X | atom-centred fragments |
| 31 | C-031 | X--CR--X | atom-centred fragments |
| 32 | C-032 | X--CX--X | atom-centred fragments |
| 33 | C-033 | X--CH..X | atom-centred fragments |
| 34 | C-034 | X--CR..X | atom-centred fragments |
| 35 | C-035 | X--CX..X | atom-centred fragments |
| 36 | C-036 | Al-CH=X | atom-centred fragments |
| 37 | C-037 | Ar-CH=X | atom-centred fragments |
| 38 | C-038 | Al-C(=X)-Al | atom-centred fragments |
| 39 | C-039 | Ar-C(=X)-R | atom-centred fragments |
| 40 | C-040 | R-C(=X)-X / R-C#X / X-=C=X | atom-centred fragments |
| 41 | C-041 | X-C(=X)-X | atom-centred fragments |
| 42 | C-042 | X--CH..X | atom-centred fragments |
| 43 | C-043 | X--CR..X | atom-centred fragments |
| 44 | C-044 | X--CX..X | atom-centred fragments |
| 45 | C-045 | undefined | atom-centred fragments |
| 46 | H-046 | H attached to C0(sp3) no X attached to next C | atom-centred fragments |
| 47 | H-047 | H attached to C1(sp3) / C0(sp2) | atom-centred fragments |
| 48 | H-048 | H attached to C2(sp3) / C1(sp2) / C0(sp) | atom-centred fragments |
| 49 | H-049 | H attached to C3(sp3) / C2(sp2) / C3(sp2) / C3(sp) | atom-centred fragments |
| 50 | H-050 | H attached to heteroatom | atom-centred fragments |
| 51 | H-051 | H attached to alfa-C | atom-centred fragments |
| 52 | H-052 | H attached to C0(sp3) with 1X attached to next C | atom-centred fragments |
| 53 | H-053 | H attached to C0(sp3) with 2X attached to next C | atom-centred fragments |
| 54 | H-054 | H attached to C0(sp3) with 3X attached to next C | atom-centred fragments |
| 55 | H-055 | H attached to C0(sp3) with 4X attached to next C | atom-centred fragments |
| 56 | O-056 | alcohol | atom-centred fragments |
| 57 | O-057 | phenol / enol / carboxyl OH | atom-centred fragments |
| 58 | O-058 | O= | atom-centred fragments |
| 59 | O-059 | Al-O-Al | atom-centred fragments |
| 60 | O-060 | Al-O-Ar / Ar-O-Ar / R..O..R / R-O-C=X | atom-centred fragments |
| 61 | O-061 | O-- | atom-centred fragments |
| 62 | O-062 | undefined | atom-centred fragments |
| 63 | O-063 | undefined | atom-centred fragments |
| 64 | O-064 | undefined | atom-centred fragments |
| 65 | O-065 | undefined | atom-centred fragments |
| 66 | N-066 | Al-NH2 | atom-centred fragments |
| 67 | N-067 | Al2-NH | atom-centred fragments |
| 68 | N-068 | Al3-N | atom-centred fragments |
| 69 | N-069 | Ar-NH2 / X-NH2 | atom-centred fragments |
| 70 | N-070 | Ar-NH-Al | atom-centred fragments |
| 71 | N-071 | Ar-NAl2 | atom-centred fragments |
| 72 | N-072 | RCO-N< / >N-X=X | atom-centred fragments |
| 73 | N-073 | Ar2NH / Ar3N / Ar2N-Al / R..N..R | atom-centred fragments |
| 74 | N-074 | R#N / R=N- | atom-centred fragments |
| 75 | N-075 | R--N--R / R--N--X | atom-centred fragments |
| 76 | N-076 | Ar-NO2 / R--N(--R)--O / RO-NO2 | atom-centred fragments |
| 77 | N-077 | Al-NO2 | atom-centred fragments |
| 78 | N-078 | Ar-N=X / X-N=X | atom-centred fragments |
| 79 | N-079 | undefined | atom-centred fragments |
| 80 | N-080 | undefined | atom-centred fragments |
| 81 | F-081 | F attached to C1(sp3) | atom-centred fragments |
| 82 | F-082 | F attached to C2(sp3) | atom-centred fragments |
| 83 | F-083 | F attached to C3(sp3) | atom-centred fragments |
| 84 | F-084 | F attached to C1(sp2) | atom-centred fragments |
| 85 | F-085 | F attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3)X | atom-centred fragments |
| 86 | Cl-086 | Cl attached to C1(sp3) | atom-centred fragments |
| 87 | Cl-087 | Cl attached to C2(sp3) | atom-centred fragments |
| 88 | Cl-088 | Cl attached to C3(sp3) | atom-centred fragments |
| 89 | Cl-089 | Cl attached to C1(sp2) | atom-centred fragments |
| 90 | Cl-090 | Cl attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3)X | atom-centred fragments |
| 91 | Br-091 | Br attached to C1(sp3) | atom-centred fragments |
| 92 | Br-092 | Br attached to C2(sp3) | atom-centred fragments |
| 93 | Br-093 | Br attached to C3(sp3) | atom-centred fragments |
| 94 | Br-094 | Br attached to C1(sp2) | atom-centred fragments |
| 95 | Br-095 | Br attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3)X | atom-centred fragments |
| 96 | I-096 | I attached to C1(sp3) | atom-centred fragments |
| 97 | I-097 | I attached to C2(sp3) | atom-centred fragments |
| 98 | I-098 | I attached to C3(sp3) | atom-centred fragments |
| 99 | I-099 | I attached to C1(sp2) | atom-centred fragments |
| 100 | I-100 | I attached to C2(sp2)-C4(sp2) / C1(sp) / C4(sp3)X | atom-centred fragments |
| 101 | S-101 | undefined | atom-centred fragments |
| 102 | S-102 | undefined | atom-centred fragments |
| 103 | S-103 | undefined | atom-centred fragments |
| 104 | S-104 | undefined | atom-centred fragments |
| 105 | S-105 | undefined | atom-centred fragments |
| 106 | S-106 | R-SH | atom-centred fragments |
| 107 | S-107 | R2S / RS-SR | atom-centred fragments |
| 108 | S-108 | R=S | atom-centred fragments |
| 109 | S-109 | R-SO-R | atom-centred fragments |
| 110 | S-110 | R-SO2-R | atom-centred fragments |
| 111 | S-111 | undefined | atom-centred fragments |
| 112 | S-112 | undefined | atom-centred fragments |
| 113 | S-113 | undefined | atom-centred fragments |
| 114 | S-114 | undefined | atom-centred fragments |
| 115 | S-115 | undefined | atom-centred fragments |
| 116 | P-116 | R3-P=X | atom-centred fragments |
| 117 | P-117 | X3-P=X (phosphate) | atom-centred fragments |
| 118 | P-118 | PX3 (phosphite) | atom-centred fragments |
| 119 | P-119 | PR3 (phosphine) | atom-centred fragments |
| 120 | P-120 | C-P(X)2=X (phosphonate) | atom-centred fragments |
