smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CC[C@@H]1CCCC[C@H](CN(C)C)C1=O	ZINC000005853552	188051899	/nfs/dbraw/zinc/05/18/99/188051899.db2.gz	FIMDXLYYNGRIJW-UONOGXRCSA-N	0	3	237.387	3.280	1	30		BGEFHN
C=C(C)CC[C@H]1CCCC[C@H](CN(C)C)C1=O	ZINC000005853572	187711572	/nfs/dbraw/zinc/71/15/72/187711572.db2.gz	FIMDXLYYNGRIJW-ZIAGYGMSSA-N	0	3	237.387	3.280	1	30		BGEFHN
C=CCN1CCc2ccsc2[C@@H]1C(C)C	ZINC000028246084	166359741	/nfs/dbraw/zinc/35/97/41/166359741.db2.gz	IUOZYCSUAHKCCP-LBPRGKRZSA-N	0	3	221.369	3.489	1	30		BGEFHN
C=CCN1CCc2ccsc2[C@H]1C(C)C	ZINC000028246089	166357560	/nfs/dbraw/zinc/35/75/60/166357560.db2.gz	IUOZYCSUAHKCCP-GFCCVEGCSA-N	0	3	221.369	3.489	1	30		BGEFHN
CN1CCC[C@H]1/C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C	ZINC000040709790	173047417	/nfs/dbraw/zinc/04/74/17/173047417.db2.gz	AKTIAMKUVHGFAN-UOYHUYMXSA-N	0	3	247.382	3.032	1	30		BGEFHN
C#CCN1CCc2ccccc2[C@@H]1C1CCC1	ZINC000045287762	188217046	/nfs/dbraw/zinc/21/70/46/188217046.db2.gz	YPVOXJDCZDZJRM-INIZCTEOSA-N	0	3	225.335	3.019	1	30		BGEFHN
C#CCN1CCc2ccccc2[C@H]1C1CCC1	ZINC000045287765	188217067	/nfs/dbraw/zinc/21/70/67/188217067.db2.gz	YPVOXJDCZDZJRM-MRXNPFEDSA-N	0	3	225.335	3.019	1	30		BGEFHN
CCCCc1ccc(/N=C/N(C)O)c(C)c1	ZINC000049707600	169019971	/nfs/dbraw/zinc/01/99/71/169019971.db2.gz	OLVFCTNNTAVXAJ-GXDHUFHOSA-N	0	3	220.316	3.318	1	30		BGEFHN
CN=C1CC(C)(C)c2cc(Cl)ccc2N1	ZINC000096908694	188148147	/nfs/dbraw/zinc/14/81/47/188148147.db2.gz	OJSQQNBZGAVCRJ-UHFFFAOYSA-N	0	3	222.719	3.462	1	30		BGEFHN
N#CCCC(N)(c1ccccc1)c1ccccc1	ZINC000205409532	368414418	/nfs/dbraw/zinc/41/44/18/368414418.db2.gz	IULXTNCMLDPLNL-UHFFFAOYSA-N	0	3	236.318	3.193	2	30		BGEFHN
N#[N+]C(=C([O-])c1ccccc1)c1ccccc1	ZINC000205466364	350143478	/nfs/dbraw/zinc/14/34/78/350143478.db2.gz	MIRLIJAGOLVCQI-ZDUSSCGKSA-N	0	3	223.255	3.464	2	30		BGEFHN
C=CCNCCOc1c(C)cc(C)cc1Cl	ZINC000004568351	166399926	/nfs/dbraw/zinc/39/99/26/166399926.db2.gz	FZHIUTMRNVPGPH-UHFFFAOYSA-N	0	3	239.746	3.111	3	30		BGEFHN