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8ff58cb | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 | fid smiles num_prot num_slc slc
V0001 C#CCCC1(CCC(=O)N2CCC(CN3CCN(C)CC3)CC2)N=N1 63 2 O43772; Q8IXU6
V0002 C#CCCC1(CCC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)N=N1 137 3 O15118; O43772; Q8IXU6
V0003 C#CCCC1(CCC(=O)N(C)Cc2ccc(CN3CCN(C)CC3)cc2)N=N1 120 2 O15118; Q8IXU6
V0004 C#CCCC1(CCC(=O)Nc2cc(N3CCN(C)CC3)ccn2)N=N1 103 1 O15118
V0005 C#CCCC1(CCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)N=N1 2 0
V0006 C#CCCC1(CCC(=O)NCC(C(C)C)N2CCN(C)CC2)N=N1 87 2 O15118; Q8IXU6
V0007 C#CCCC1(CCC(=O)NC(CN2CCN(C)CC2)c2ccc(OC)cc2)N=N1 110 2 O15118; Q9UBX3
V0017 C#CCCC1(CCC(=O)N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)N=N1 404 28 L0R6Q1; O00400; O43808; O95202; P05141; P12235; P12236; Q6NUK1; Q6P4A7; Q6PML9; Q70HW3; Q8TB61; Q96ES6; Q96H78; Q96NB2; Q9BQT8; Q9BSK2; Q9H2D1; Q9H2J7; Q9H9B4; Q9HC07; Q9HC21; Q9NZJ7; Q9UBX3; Q9UJS0; Q9UPY5; Q9Y6C9; Q9Y6M7
V0018 C#CCCC1(CCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)N=N1 9 1 Q96H78
V0019 C#CCCC1(CCC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)N=N1 3 0
V0021 C#CCCC1(CCNC(=O)c2cccn3cc(CN4CCCC4)nc23)N=N1 189 6 O15118; O43808; P30825; Q70HW3; Q7L0J3; Q9H2J7
V0022 C#CCCC1(CCNC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)N=N1 120 2 O43772; Q70HW3
V0023 C#CCCC1(CCNC(=O)C2CCC(NC(=O)c3cccc(F)c3)C2)N=N1 156 10 O15118; Q70HW3; Q7L0J3; Q8IXU6; Q8TB61; Q96H78; Q9BSK2; Q9H2D1; Q9UBX3; Q9Y619
V0033 C#CCCC1(CCC(=O)NCCCn2[nH]c(=O)c3c2CCCC3)N=N1 29 1 Q96ES6
V0034 C#CCCC1(CCC(=O)NCc2cc3c([nH]c2=O)CCN(C)C3)N=N1 5 0
V0035 C#CCCC1(CCNC(=O)c2cnc(C3CCOCC3)[nH]c2=O)N=N1 5 0
V0036 C#CCCC1(CCNC(=O)C(Cc2c[nH]c3ncccc23)NC(C)=O)N=N1 11 1 Q70HW3
V0037 C#CCCC1(CCC(=O)Nc2cc3c([nH]c2=O)CCCC3)N=N1 205 9 O43808; O95202; P53985; Q86VD7; Q9BSK2; Q9H2D1; Q9NZJ7; Q9UBX3; Q9Y6C9
V0038 C#CCCC1(CCC(=O)NCc2nnc(-c3ccncc3)[nH]2)N=N1 12 2 P53985; Q96ES6
V0039 C#CCCC1(CCC(=O)NCc2cc(C(=O)NC)c3n2CCCC3)N=N1 30 2 O43772; Q70HW3
V0047 C#CCCC1(CCSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)N=N1 478 42 L0R6Q1; O00400; O15118; O43772; O43808; O75746; O95202; O95563; P05141; P12235; P12236; P16260; P30825; P78383; Q15043; Q15758; Q6NUK1; Q6NXT4; Q6P4A7; Q6PML9; Q70HW3; Q8N1S5; Q8NEW0; Q8NHS3; Q8TAD4; Q8TB61; Q96GZ6; Q96QD8; Q9BQT8; Q9BSK2; Q9H0U3; Q9H2D1; Q9H2V7; Q9H936; Q9H9B4; Q9HC21; Q9NZJ7; Q9UBX3; Q9UJS0; Q9Y5Y0; Q9Y619; Q9Y6C9
V0048 C#CCCC1(CCSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)N=N1 483 31 L0R6Q1; O00400; O15118; O95202; P12235; P16260; P30825; Q15043; Q15758; Q6NUK1; Q6NXT4; Q6P4A7; Q6PML9; Q70HW3; Q8N1S5; Q8NEW0; Q8NHS3; Q8TAD4; Q8TB61; Q96QD8; Q9BQT8; Q9BSK2; Q9H2D1; Q9H2V7; Q9H936; Q9HC21; Q9NZJ7; Q9UBX3; Q9Y5Y0; Q9Y619; Q9Y6C9
V0049 C#CCCC1(CCC(=O)Nc2csc(-c3ccccc3)n2)N=N1 492 29 L0R6Q1; O00400; O95202; P05141; P12235; P12236; P16260; P30825; P53007; Q00325; Q15043; Q6NUK1; Q6NXT4; Q6P4A7; Q6PML9; Q70HW3; Q8N1S5; Q8NEW0; Q8TAD4; Q8TB61; Q9BQT8; Q9BSK2; Q9H2V7; Q9HC21; Q9NZJ7; Q9UBX3; Q9UJS0; Q9Y5Y0; Q9Y6C9
V0051 C#CCCC1(CCC(=O)NCC(O)c2ccc(-c3ccccc3)cc2)N=N1 360 27 L0R6Q1; O00400; O15118; O95202; Q6NT16; Q6NUK1; Q6NXT4; Q6P4A7; Q6PML9; Q70HW3; Q8N1S5; Q8NEW0; Q8NHS3; Q8TAD4; Q8TB61; Q96ES6; Q96QD8; Q9BQT8; Q9BSK2; Q9H2D1; Q9H2V7; Q9HC21; Q9NZJ7; Q9UBX3; Q9Y5Y0; Q9Y619; Q9Y6C9
V0052 C#CCCC1(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N=N1 230 13 O15118; O43772; P30825; Q6NT16; Q6P4A7; Q70HW3; Q8IXU6; Q8NHS3; Q9BSK2; Q9H2D1; Q9H2V7; Q9UBX3; Q9Y5Y0
V0053 C#CCCC1(CCNC(=O)C(N)c2ccc3ccccc3c2)N=N1 291 9 L0R6Q1; O15118; Q70HW3; Q8N1S5; Q8TB61; Q96QD8; Q9BSK2; Q9H2D1; Q9UBX3
V0054 C#CCCC1(CCNC(=O)c2cccc3cccc(OC)c23)N=N1 136 3 Q70HW3; Q9BSK2; Q9UBX3
V0081 C#CCCC1(CCC(=O)N2CCCc3c(OC(F)F)cccc32)N=N1 426 23 L0R6Q1; O15118; O95202; P04920; P05141; P12235; P12236; P30825; P53985; Q6P4A7; Q70HW3; Q8N1S5; Q8TB61; Q8WWI5; Q96ES6; Q96H78; Q9BQT8; Q9H2D1; Q9H2J7; Q9H2V7; Q9HC21; Q9NZJ7; Q9UBX3
V0157 C#CCCC1(CCC(=O)N2CCCC2Cc2c(F)cccc2Cl)N=N1 410 23 L0R6Q1; O00400; O15118; O95202; P04920; P12235; P12236; Q6NUK1; Q6P4A7; Q70HW3; Q8N1S5; Q8TB61; Q8WWI5; Q96ES6; Q96H78; Q96QD8; Q9BQT8; Q9H2D1; Q9H2J7; Q9H2V7; Q9NZJ7; Q9UBX3; Q9Y619
V0302 C#CCCC1(CCNC(=O)C2=NN(c3ccccc3)C(C(=O)OC(C)(C)C)C2)N=N1 462 25 L0R6Q1; O95202; P04920; P05141; P12235; P12236; P30825; P53007; Q6NUK1; Q6P4A7; Q70HW3; Q8N1S5; Q8TB61; Q8WWI5; Q96H78; Q96NB2; Q9BQT8; Q9H2D1; Q9H2J7; Q9H2V7; Q9HC21; Q9NZJ7; Q9UBX3; Q9Y619; Q9Y6C9
V0480 C#CCCC1(CCC(=O)Nc2ccc3nc(-c4cnn(C)c4)oc3c2)N=N1 276 7 Q70HW3; Q8N1S5; Q8TB61; Q9H2D1; Q9H2J7; Q9H2V7; Q9UBX3
V4856 C#CCCC1(CCC(=O)Nc2cnn(C3COCCN(C(=O)OC(C)(C)C)C3)c2)N=N1 100 4 O43772; P53985; Q6NVV3; Q70HW3
V5151 C#CCCC1(CCC(=O)N2C(C)CCC(C(=O)O)C2C)N=N1 9 2 P53985; Q96ES6
V5335 C#CCCC1(CCNC(=O)c2cn(C3COCC3CNC(=O)OC(C)(C)C)nn2)N=N1 108 5 O43772; P53985; Q6NVV3; Q70HW3; Q96ES6
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