Sha256: 907ac89ba12c8f880b34ddca7b2245f6a0fa6341e580d3f4acaa9173b018b38c

Contents?: true

Size: 938 Bytes

Versions: 9

Compression:

Stored size: 938 Bytes

Contents

SMILES, batch
CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1
OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO
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
C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3
O=C1NC(=O)NC=C1
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
O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3
CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
C1CCCCC1C2CCCCC2
C1=CC(C)=CC=C1SSC2=CC=C(C)C=C2
CCCCCCCCCCCCCO
O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
CCCCCCCCCCCCCC=O
OCCCCCCCC\C=C/CCCCCCCC
CCCCCCC(=O)CCCCCC
N1=C(C2=CC=CC=C2)NC(C3=CC=CC=C3)=C1C4=CC=CC=C4
C1=CC=CC=C1[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3
IC1=CC=C(I)C=C1
C1=CC(N(C)C)=CC=C1P(=O)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3
C1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)O2
CCCCCCCCCCCC(=O)N
N1=C(CCN)C=CC=C1

Version data entries

9 entries across 9 versions & 1 rubygems

Version Path
lazar-1.1.3 test/data/batch_prediction.csv
lazar-1.1.0 test/data/batch_prediction.csv
lazar-1.0.1 test/data/batch_prediction.csv
lazar-1.0.0 test/data/batch_prediction.csv
lazar-0.9.3 test/data/batch_prediction.csv
lazar-0.9.2 test/data/batch_prediction.csv
lazar-0.9.1 test/data/batch_prediction.csv
lazar-0.9.0 test/data/batch_prediction.csv
lazar-0.0.9 test/data/batch_prediction.csv