smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1	ZINC000012279195	519329412	/nfs/dbraw/zinc/32/94/12/519329412.db2.gz	FIMDJFPAEZJMBK-XMMPIXPASA-N	0	3	464.679	4.167	10	30		JIEEHN
COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2CCN(C)C)cc1	ZINC000015952953	523467847	/nfs/dbraw/zinc/46/78/47/523467847.db2.gz	WWGKYTVOQWOYFW-XMFNYGHISA-N	0	3	460.943	4.422	10	30		JIEEHN
C=CCOc1ccccc1CN1CCC(O)(c2ccc3oc(C(=O)NC[C@@H]4CCCO4)cc3c2)CC1	ZINC000012279683	519067061	/nfs/dbraw/zinc/06/70/61/519067061.db2.gz	JFYZMJUARUKJOQ-DEOSSOPVSA-N	0	3	490.600	4.390	10	30		JIEEHN
CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O	ZINC000014879857	519340751	/nfs/dbraw/zinc/34/07/51/519340751.db2.gz	FGUPFCJGFDBCRU-LJAQVGFWSA-N	0	3	473.617	4.244	10	30		JIEEHN
C=CCOc1ccccc1CN1CCC(O)(c2ccc3oc(C(=O)NC[C@H]4CCCO4)cc3c2)CC1	ZINC000012279684	519067419	/nfs/dbraw/zinc/06/74/19/519067419.db2.gz	JFYZMJUARUKJOQ-XMMPIXPASA-N	0	3	490.600	4.390	10	30		JIEEHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1	ZINC000012279196	519329639	/nfs/dbraw/zinc/32/96/39/519329639.db2.gz	FIMDJFPAEZJMBK-DEOSSOPVSA-N	0	3	464.679	4.167	10	30		JIEEHN
CCCCCCCCCOC(=O)c1ccccc1NN=C1C(=O)[N-]C(=O)C([n+]2ccccc2)=C1C	ZINC000059357180	195397827	/nfs/dbraw/zinc/39/78/27/195397827.db2.gz	CRUCYIQPNUUOMH-UHFFFAOYSA-O	0	3	477.585	4.237	10	30		JIEEHN
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O	ZINC000014879856	519339415	/nfs/dbraw/zinc/33/94/15/519339415.db2.gz	FGUPFCJGFDBCRU-GDLZYMKVSA-N	0	3	473.617	4.244	10	30		JIEEHN
COc1ccc(OC)c(-c2csc(C3=C(N)N(C4CCN(Cc5ccccc5)CC4)CC3=O)n2)c1	ZINC000034769658	569659023	/nfs/dbraw/zinc/65/90/23/569659023.db2.gz	HQFLNHDQGDUNSC-UHFFFAOYSA-N	0	3	490.629	4.004	10	30		JIEEHN