data/test.csv

id,structure_path,date,dataset_name,sampling_probability,ppm_paths
115d,structures/115d.cif,2024-01-01,diffusion_na,1.0,[]
139d,structures/139d.cif,2024-01-01,diffusion_na,1.0,[]
1ajt,structures/1ajt.cif,2024-01-01,diffusion_na,1.0,[]
1cvx,structures/1cvx.cif,2024-01-01,diffusion_na,1.0,[]
1cvy,structures/1cvy.cif,2024-01-01,diffusion_na,1.0,[]
1d83,structures/1d83.cif,2024-01-01,diffusion_na,1.0,[]
1dgc,structures/1dgc.cif,2024-01-01,diffusion_na,1.0,[]
1dgo,structures/1dgo.cif,2024-01-01,diffusion_na,1.0,[]
1dk9,structures/1dk9.cif,2024-01-01,diffusion_na,1.0,[]
1dnk,structures/1dnk.cif,2024-01-01,diffusion_na,1.0,[]
1duq,structures/1duq.cif,2024-01-01,diffusion_na,1.0,[]
1hq1,structures/1hq1.cif,2024-01-01,diffusion_na,1.0,[]
1ibm,structures/1ibm.cif,2024-01-01,diffusion_na,1.0,[]
1idx,structures/1idx.cif,2024-01-01,diffusion_na,1.0,[]
1ii1,structures/1ii1.cif,2024-01-01,diffusion_na,1.0,[]
1ikk,structures/1ikk.cif,2024-01-01,diffusion_na,1.0,[]
1j46,structures/1j46.cif,2024-01-01,diffusion_na,1.0,[]
1j5k,structures/1j5k.cif,2024-01-01,diffusion_na,1.0,[]
1jbr,structures/1jbr.cif,2024-01-01,diffusion_na,1.0,[]
1jft,structures/1jft.cif,2024-01-01,diffusion_na,1.0,[]
1jkq,structures/1jkq.cif,2024-01-01,diffusion_na,1.0,[]
1jp0,structures/1jp0.cif,2024-01-01,diffusion_na,1.0,[]
1juu,structures/1juu.cif,2024-01-01,diffusion_na,1.0,[]
1kpy,structures/1kpy.cif,2024-01-01,diffusion_na,1.0,[]
1ldz,structures/1ldz.cif,2024-01-01,diffusion_na,1.0,[]
1lmv,structures/1lmv.cif,2024-01-01,diffusion_na,1.0,[]
1lvs,structures/1lvs.cif,2024-01-01,diffusion_na,1.0,[]
1m3h,structures/1m3h.cif,2024-01-01,diffusion_na,1.0,[]
1m5x,structures/1m5x.cif,2024-01-01,diffusion_na,1.0,[]
1n4e,structures/1n4e.cif,2024-01-01,diffusion_na,1.0,[]
1na2,structures/1na2.cif,2024-01-01,diffusion_na,1.0,[]
1ngm,structures/1ngm.cif,2024-01-01,diffusion_na,1.0,[]
1ngu,structures/1ngu.cif,2024-01-01,diffusion_na,1.0,[]
1pgl,structures/1pgl.cif,2024-01-01,diffusion_na,1.0,[]
1pyj,structures/1pyj.cif,2024-01-01,diffusion_na,1.0,[]
1qp7,structures/1qp7.cif,2024-01-01,diffusion_na,1.0,[]
1qqb,structures/1qqb.cif,2024-01-01,diffusion_na,1.0,[]
1skw,structures/1skw.cif,2024-01-01,diffusion_na,1.0,[]
1sl0,structures/1sl0.cif,2024-01-01,diffusion_na,1.0,[]
1sl2,structures/1sl2.cif,2024-01-01,diffusion_na,1.0,[]
1sm5,structures/1sm5.cif,2024-01-01,diffusion_na,1.0,[]
1szy,structures/1szy.cif,2024-01-01,diffusion_na,1.0,[]
1vbx,structures/1vbx.cif,2024-01-01,diffusion_na,1.0,[]
1vc5,structures/1vc5.cif,2024-01-01,diffusion_na,1.0,[]
1vj4,structures/1vj4.cif,2024-01-01,diffusion_na,1.0,[]
1x9c,structures/1x9c.cif,2024-01-01,diffusion_na,1.0,[]
1xs9,structures/1xs9.cif,2024-01-01,diffusion_na,1.0,[]
1yuj,structures/1yuj.cif,2024-01-01,diffusion_na,1.0,[]
1yz9,structures/1yz9.cif,2024-01-01,diffusion_na,1.0,[]
1zjf,structures/1zjf.cif,2024-01-01,diffusion_na,1.0,[]
1zjg,structures/1zjg.cif,2024-01-01,diffusion_na,1.0,[]
1zyg,structures/1zyg.cif,2024-01-01,diffusion_na,1.0,[]
1zyh,structures/1zyh.cif,2024-01-01,diffusion_na,1.0,[]
272d,structures/272d.cif,2024-01-01,diffusion_na,1.0,[]
284d,structures/284d.cif,2024-01-01,diffusion_na,1.0,[]
2a8v,structures/2a8v.cif,2024-01-01,diffusion_na,1.0,[]
2bcu,structures/2bcu.cif,2024-01-01,diffusion_na,1.0,[]
2bcz,structures/2bcz.cif,2024-01-01,diffusion_na,1.0,[]
2cgp,structures/2cgp.cif,2024-01-01,diffusion_na,1.0,[]
2d2k,structures/2d2k.cif,2024-01-01,diffusion_na,1.0,[]
2d2l,structures/2d2l.cif,2024-01-01,diffusion_na,1.0,[]
2d6f,structures/2d6f.cif,2024-01-01,diffusion_na,1.0,[]
2dgc,structures/2dgc.cif,2024-01-01,diffusion_na,1.0,[]
2err,structures/2err.cif,2024-01-01,diffusion_na,1.0,[]
2fjw,structures/2fjw.cif,2024-01-01,diffusion_na,1.0,[]
2flc,structures/2flc.cif,2024-01-01,diffusion_na,1.0,[]
2fll,structures/2fll.cif,2024-01-01,diffusion_na,1.0,[]
2gtt,structures/2gtt.cif,2024-01-01,diffusion_na,1.0,[]
2h0s,structures/2h0s.cif,2024-01-01,diffusion_na,1.0,[]
2ho6,structures/2ho6.cif,2024-01-01,diffusion_na,1.0,[]
2i3q,structures/2i3q.cif,2024-01-01,diffusion_na,1.0,[]
2ihn,structures/2ihn.cif,2024-01-01,diffusion_na,1.0,[]
2jlw,structures/2jlw.cif,2024-01-01,diffusion_na,1.0,[]
2l13,structures/2l13.cif,2024-01-01,diffusion_na,1.0,[]
2llj,structures/2llj.cif,2024-01-01,diffusion_na,1.0,[]
2m12,structures/2m12.cif,2024-01-01,diffusion_na,1.0,[]
2m8k,structures/2m8k.cif,2024-01-01,diffusion_na,1.0,[]
2mb2,structures/2mb2.cif,2024-01-01,diffusion_na,1.0,[]
2moe,structures/2moe.cif,2024-01-01,diffusion_na,1.0,[]
2n0q,structures/2n0q.cif,2024-01-01,diffusion_na,1.0,[]
2n3o,structures/2n3o.cif,2024-01-01,diffusion_na,1.0,[]
2npy,structures/2npy.cif,2024-01-01,diffusion_na,1.0,[]
2npz,structures/2npz.cif,2024-01-01,diffusion_na,1.0,[]
2o33,structures/2o33.cif,2024-01-01,diffusion_na,1.0,[]
2oih,structures/2oih.cif,2024-01-01,diffusion_na,1.0,[]
2oj3,structures/2oj3.cif,2024-01-01,diffusion_na,1.0,[]
2ost,structures/2ost.cif,2024-01-01,diffusion_na,1.0,[]
2p7d,structures/2p7d.cif,2024-01-01,diffusion_na,1.0,[]
2p7e,structures/2p7e.cif,2024-01-01,diffusion_na,1.0,[]
2pl4,structures/2pl4.cif,2024-01-01,diffusion_na,1.0,[]
2pl8,structures/2pl8.cif,2024-01-01,diffusion_na,1.0,[]
2plo,structures/2plo.cif,2024-01-01,diffusion_na,1.0,[]
2puc,structures/2puc.cif,2024-01-01,diffusion_na,1.0,[]
2pud,structures/2pud.cif,2024-01-01,diffusion_na,1.0,[]
2pue,structures/2pue.cif,2024-01-01,diffusion_na,1.0,[]
2puf,structures/2puf.cif,2024-01-01,diffusion_na,1.0,[]
2pxe,structures/2pxe.cif,2024-01-01,diffusion_na,1.0,[]
2pxt,structures/2pxt.cif,2024-01-01,diffusion_na,1.0,[]
2pxu,structures/2pxu.cif,2024-01-01,diffusion_na,1.0,[]
2pxv,structures/2pxv.cif,2024-01-01,diffusion_na,1.0,[]
2rvo,structures/2rvo.cif,2024-01-01,diffusion_na,1.0,[]
2vbn,structures/2vbn.cif,2024-01-01,diffusion_na,1.0,[]
2vum,structures/2vum.cif,2024-01-01,diffusion_na,1.0,[]
2wtu,structures/2wtu.cif,2024-01-01,diffusion_na,1.0,[]
2xct,structures/2xct.cif,2024-01-01,diffusion_na,1.0,[]
2xro,structures/2xro.cif,2024-01-01,diffusion_na,1.0,[]
2z74,structures/2z74.cif,2024-01-01,diffusion_na,1.0,[]
357d,structures/357d.cif,2024-01-01,diffusion_na,1.0,[]
361d,structures/361d.cif,2024-01-01,diffusion_na,1.0,[]
3adi,structures/3adi.cif,2024-01-01,diffusion_na,1.0,[]
3agv,structures/3agv.cif,2024-01-01,diffusion_na,1.0,[]
3b4b,structures/3b4b.cif,2024-01-01,diffusion_na,1.0,[]
3bep,structures/3bep.cif,2024-01-01,diffusion_na,1.0,[]
3bse,structures/3bse.cif,2024-01-01,diffusion_na,1.0,[]
3c0w,structures/3c0w.cif,2024-01-01,diffusion_na,1.0,[]
3coa,structures/3coa.cif,2024-01-01,diffusion_na,1.0,[]
3dh3,structures/3dh3.cif,2024-01-01,diffusion_na,1.0,[]
3foz,structures/3foz.cif,2024-01-01,diffusion_na,1.0,[]
3hxo,structures/3hxo.cif,2024-01-01,diffusion_na,1.0,[]
3hxq,structures/3hxq.cif,2024-01-01,diffusion_na,1.0,[]
3jce,structures/3jce.cif,2024-01-01,diffusion_na,1.0,[]
3k4x,structures/3k4x.cif,2024-01-01,diffusion_na,1.0,[]
3l1p,structures/3l1p.cif,2024-01-01,diffusion_na,1.0,[]
3l2p,structures/3l2p.cif,2024-01-01,diffusion_na,1.0,[]
3loa,structures/3loa.cif,2024-01-01,diffusion_na,1.0,[]
3lqx,structures/3lqx.cif,2024-01-01,diffusion_na,1.0,[]
3os0,structures/3os0.cif,2024-01-01,diffusion_na,1.0,[]
3pu0,structures/3pu0.cif,2024-01-01,diffusion_na,1.0,[]
3pu1,structures/3pu1.cif,2024-01-01,diffusion_na,1.0,[]
3q2t,structures/3q2t.cif,2024-01-01,diffusion_na,1.0,[]
3qg9,structures/3qg9.cif,2024-01-01,diffusion_na,1.0,[]
3qgc,structures/3qgc.cif,2024-01-01,diffusion_na,1.0,[]
3r1l,structures/3r1l.cif,2024-01-01,diffusion_na,1.0,[]
3sq2,structures/3sq2.cif,2024-01-01,diffusion_na,1.0,[]
3ssf,structures/3ssf.cif,2024-01-01,diffusion_na,1.0,[]
3szq,structures/3szq.cif,2024-01-01,diffusion_na,1.0,[]
3tzr,structures/3tzr.cif,2024-01-01,diffusion_na,1.0,[]
3ufd,structures/3ufd.cif,2024-01-01,diffusion_na,1.0,[]
3ugo,structures/3ugo.cif,2024-01-01,diffusion_na,1.0,[]
3v72,structures/3v72.cif,2024-01-01,diffusion_na,1.0,[]
3va3,structures/3va3.cif,2024-01-01,diffusion_na,1.0,[]
3vw4,structures/3vw4.cif,2024-01-01,diffusion_na,1.0,[]
431d,structures/431d.cif,2024-01-01,diffusion_na,1.0,[]
4a3d,structures/4a3d.cif,2024-01-01,diffusion_na,1.0,[]
4a3k,structures/4a3k.cif,2024-01-01,diffusion_na,1.0,[]
4aij,structures/4aij.cif,2024-01-01,diffusion_na,1.0,[]
4ati,structures/4ati.cif,2024-01-01,diffusion_na,1.0,[]
4b3r,structures/4b3r.cif,2024-01-01,diffusion_na,1.0,[]
4by7,structures/4by7.cif,2024-01-01,diffusion_na,1.0,[]
4fgn,structures/4fgn.cif,2024-01-01,diffusion_na,1.0,[]
4fxd,structures/4fxd.cif,2024-01-01,diffusion_na,1.0,[]
4g6r,structures/4g6r.cif,2024-01-01,diffusion_na,1.0,[]
4ki2,structures/4ki2.cif,2024-01-01,diffusion_na,1.0,[]
4lnt,structures/4lnt.cif,2024-01-01,diffusion_na,1.0,[]
4lt8,structures/4lt8.cif,2024-01-01,diffusion_na,1.0,[]
4lw0,structures/4lw0.cif,2024-01-01,diffusion_na,1.0,[]
4m59,structures/4m59.cif,2024-01-01,diffusion_na,1.0,[]
4meg,structures/4meg.cif,2024-01-01,diffusion_na,1.0,[]
4mfa,structures/4mfa.cif,2024-01-01,diffusion_na,1.0,[]
4mgm,structures/4mgm.cif,2024-01-01,diffusion_na,1.0,[]
4mky,structures/4mky.cif,2024-01-01,diffusion_na,1.0,[]
4oe1,structures/4oe1.cif,2024-01-01,diffusion_na,1.0,[]
4oqu,structures/4oqu.cif,2024-01-01,diffusion_na,1.0,[]
4p97,structures/4p97.cif,2024-01-01,diffusion_na,1.0,[]
4pjo,structures/4pjo.cif,2024-01-01,diffusion_na,1.0,[]
4plx,structures/4plx.cif,2024-01-01,diffusion_na,1.0,[]
4prf,structures/4prf.cif,2024-01-01,diffusion_na,1.0,[]
4q9r,structures/4q9r.cif,2024-01-01,diffusion_na,1.0,[]
4qz8,structures/4qz8.cif,2024-01-01,diffusion_na,1.0,[]
4qz9,structures/4qz9.cif,2024-01-01,diffusion_na,1.0,[]
4qzc,structures/4qzc.cif,2024-01-01,diffusion_na,1.0,[]
4ri9,structures/4ri9.cif,2024-01-01,diffusion_na,1.0,[]
4rwp,structures/4rwp.cif,2024-01-01,diffusion_na,1.0,[]
4tue,structures/4tue.cif,2024-01-01,diffusion_na,1.0,[]
4tzx,structures/4tzx.cif,2024-01-01,diffusion_na,1.0,[]
4tzy,structures/4tzy.cif,2024-01-01,diffusion_na,1.0,[]
4v5j,structures/4v5j.cif,2024-01-01,diffusion_na,1.0,[]
4v8q,structures/4v8q.cif,2024-01-01,diffusion_na,1.0,[]
4wtc,structures/4wtc.cif,2024-01-01,diffusion_na,1.0,[]
4wul,structures/4wul.cif,2024-01-01,diffusion_na,1.0,[]
4x0g,structures/4x0g.cif,2024-01-01,diffusion_na,1.0,[]
4xvl,structures/4xvl.cif,2024-01-01,diffusion_na,1.0,[]
4yfu,structures/4yfu.cif,2024-01-01,diffusion_na,1.0,[]
4znp,structures/4znp.cif,2024-01-01,diffusion_na,1.0,[]
5amq,structures/5amq.cif,2024-01-01,diffusion_na,1.0,[]
5b2p,structures/5b2p.cif,2024-01-01,diffusion_na,1.0,[]
5bng,structures/5bng.cif,2024-01-01,diffusion_na,1.0,[]
5cdn,structures/5cdn.cif,2024-01-01,diffusion_na,1.0,[]
5cpi,structures/5cpi.cif,2024-01-01,diffusion_na,1.0,[]
5cv2,structures/5cv2.cif,2024-01-01,diffusion_na,1.0,[]
5d2q,structures/5d2q.cif,2024-01-01,diffusion_na,1.0,[]
5d9i,structures/5d9i.cif,2024-01-01,diffusion_na,1.0,[]
5dv7,structures/5dv7.cif,2024-01-01,diffusion_na,1.0,[]
5e18,structures/5e18.cif,2024-01-01,diffusion_na,1.0,[]
5e5s,structures/5e5s.cif,2024-01-01,diffusion_na,1.0,[]
5h3u,structures/5h3u.cif,2024-01-01,diffusion_na,1.0,[]
5hbw,structures/5hbw.cif,2024-01-01,diffusion_na,1.0,[]
5jea,structures/5jea.cif,2024-01-01,diffusion_na,1.0,[]
5k5r,structures/5k5r.cif,2024-01-01,diffusion_na,1.0,[]
5k7c,structures/5k7c.cif,2024-01-01,diffusion_na,1.0,[]
5k7d,structures/5k7d.cif,2024-01-01,diffusion_na,1.0,[]
5n90,structures/5n90.cif,2024-01-01,diffusion_na,1.0,[]
5swd,structures/5swd.cif,2024-01-01,diffusion_na,1.0,[]
5swe,structures/5swe.cif,2024-01-01,diffusion_na,1.0,[]
5t2h,structures/5t2h.cif,2024-01-01,diffusion_na,1.0,[]
5u30,structures/5u30.cif,2024-01-01,diffusion_na,1.0,[]
5v17,structures/5v17.cif,2024-01-01,diffusion_na,1.0,[]
5vfx,structures/5vfx.cif,2024-01-01,diffusion_na,1.0,[]
5w2a,structures/5w2a.cif,2024-01-01,diffusion_na,1.0,[]
5wzh,structures/5wzh.cif,2024-01-01,diffusion_na,1.0,[]
5wzi,structures/5wzi.cif,2024-01-01,diffusion_na,1.0,[]
5xvp,structures/5xvp.cif,2024-01-01,diffusion_na,1.0,[]
5y7g,structures/5y7g.cif,2024-01-01,diffusion_na,1.0,[]
5yzy,structures/5yzy.cif,2024-01-01,diffusion_na,1.0,[]
5ze2,structures/5ze2.cif,2024-01-01,diffusion_na,1.0,[]
5zjs,structures/5zjs.cif,2024-01-01,diffusion_na,1.0,[]
5zk1,structures/5zk1.cif,2024-01-01,diffusion_na,1.0,[]
5zsl,structures/5zsl.cif,2024-01-01,diffusion_na,1.0,[]
5zux,structures/5zux.cif,2024-01-01,diffusion_na,1.0,[]
6ar1,structures/6ar1.cif,2024-01-01,diffusion_na,1.0,[]
6ar3,structures/6ar3.cif,2024-01-01,diffusion_na,1.0,[]
6ar5,structures/6ar5.cif,2024-01-01,diffusion_na,1.0,[]
6b14,structures/6b14.cif,2024-01-01,diffusion_na,1.0,[]
6bwy,structures/6bwy.cif,2024-01-01,diffusion_na,1.0,[]
6cao,structures/6cao.cif,2024-01-01,diffusion_na,1.0,[]
6cap,structures/6cap.cif,2024-01-01,diffusion_na,1.0,[]
6cmn,structures/6cmn.cif,2024-01-01,diffusion_na,1.0,[]
6cst,structures/6cst.cif,2024-01-01,diffusion_na,1.0,[]
6cvo,structures/6cvo.cif,2024-01-01,diffusion_na,1.0,[]
6fb8,structures/6fb8.cif,2024-01-01,diffusion_na,1.0,[]
6fb9,structures/6fb9.cif,2024-01-01,diffusion_na,1.0,[]
6ftu,structures/6ftu.cif,2024-01-01,diffusion_na,1.0,[]
6fz0,structures/6fz0.cif,2024-01-01,diffusion_na,1.0,[]
6gb2,structures/6gb2.cif,2024-01-01,diffusion_na,1.0,[]
6hag,structures/6hag.cif,2024-01-01,diffusion_na,1.0,[]
6iod,structures/6iod.cif,2024-01-01,diffusion_na,1.0,[]
6ir8,structures/6ir8.cif,2024-01-01,diffusion_na,1.0,[]
6is8,structures/6is8.cif,2024-01-01,diffusion_na,1.0,[]
6iuc,structures/6iuc.cif,2024-01-01,diffusion_na,1.0,[]
6jdv,structures/6jdv.cif,2024-01-01,diffusion_na,1.0,[]
6jfu,structures/6jfu.cif,2024-01-01,diffusion_na,1.0,[]
6jgw,structures/6jgw.cif,2024-01-01,diffusion_na,1.0,[]
6jni,structures/6jni.cif,2024-01-01,diffusion_na,1.0,[]
6jrf,structures/6jrf.cif,2024-01-01,diffusion_na,1.0,[]
6jrp,structures/6jrp.cif,2024-01-01,diffusion_na,1.0,[]
6k1k,structures/6k1k.cif,2024-01-01,diffusion_na,1.0,[]
6l6s,structures/6l6s.cif,2024-01-01,diffusion_na,1.0,[]
6lwr,structures/6lwr.cif,2024-01-01,diffusion_na,1.0,[]
6m3l,structures/6m3l.cif,2024-01-01,diffusion_na,1.0,[]
6mur,structures/6mur.cif,2024-01-01,diffusion_na,1.0,[]
6n7r,structures/6n7r.cif,2024-01-01,diffusion_na,1.0,[]
6o1k,structures/6o1k.cif,2024-01-01,diffusion_na,1.0,[]
6o1l,structures/6o1l.cif,2024-01-01,diffusion_na,1.0,[]
6o7i,structures/6o7i.cif,2024-01-01,diffusion_na,1.0,[]
6o8q,structures/6o8q.cif,2024-01-01,diffusion_na,1.0,[]
6oes,structures/6oes.cif,2024-01-01,diffusion_na,1.0,[]
6oet,structures/6oet.cif,2024-01-01,diffusion_na,1.0,[]
6oy7,structures/6oy7.cif,2024-01-01,diffusion_na,1.0,[]
6rfl,structures/6rfl.cif,2024-01-01,diffusion_na,1.0,[]
6rja,structures/6rja.cif,2024-01-01,diffusion_na,1.0,[]
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7z4j,structures/7z4j.cif,2024-01-01,diffusion_na,1.0,[]
7zq6,structures/7zq6.cif,2024-01-01,diffusion_na,1.0,[]
8dqx,structures/8dqx.cif,2024-01-01,diffusion_na,1.0,[]