c9c45e1ac4ea688bcef85e8076484c6d0d65ff6d
[lazar] / test / data / batch_prediction.csv
1 SMILES, batch
2 CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1
3 OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO
4 C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3
5 C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3
6 O=C1NC(=O)NC=C1
7 O=C2C1=NC3=C(C=C(C)C(C)=C3)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(N2)=O
8 O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3
9 CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
10 C1CCCCC1C2CCCCC2
11 C1=CC(C)=CC=C1SSC2=CC=C(C)C=C2
12 CCCCCCCCCCCCCO
13 O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC
14 CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
15 CCCCCCCCCCCCCC=O
16 OCCCCCCCC\C=C/CCCCCCCC
17 CCCCCCC(=O)CCCCCC
18 N1=C(C2=CC=CC=C2)NC(C3=CC=CC=C3)=C1C4=CC=CC=C4
19 C1=CC=CC=C1[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
20 C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3
21 IC1=CC=C(I)C=C1
22 C1=CC(N(C)C)=CC=C1P(=O)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3
23 C1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)O2
24 CCCCCCCCCCCC(=O)N
25 N1=C(CCN)C=CC=C1