smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC000087515359	553693284	/nfs/dbraw/zinc/69/32/84/553693284.db2.gz	XLNCEHRXXWQMPK-WTGOVRMQSA-N	-5	1	746.570	1.717	40	30	in-vitro	KDEBML
CCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1O)OC(=O)CCCCCCC	ZINC000150339863	571457661	/nfs/dbraw/zinc/45/76/61/571457661.db2.gz	LKXJHTKDXMQMDM-LNPOGJCGSA-N	-3	1	666.591	1.600	40	30	in-vitro	KDEBML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1O)OC(=O)CCCCCCC	ZINC000150339864	571457606	/nfs/dbraw/zinc/45/76/06/571457606.db2.gz	LKXJHTKDXMQMDM-TZPSRTRHSA-N	-3	1	666.591	1.600	40	30	in-vitro	KDEBML
CCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OC1[C@H](O)[C@H](OP(=O)([O-])[O-])C(O)[C@H](OP(=O)([O-])[O-])[C@@H]1O)OC(=O)CCCCCCC	ZINC000150339865	571457609	/nfs/dbraw/zinc/45/76/09/571457609.db2.gz	QXHVLVSULWMTCV-CNKNJUASSA-N	-5	1	746.570	1.717	40	30	in-vitro	KDEBML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@H](O)[C@H](OP(=O)([O-])[O-])C(O)[C@H](OP(=O)([O-])[O-])[C@@H]1O)OC(=O)CCCCCCC	ZINC000150339866	571457629	/nfs/dbraw/zinc/45/76/29/571457629.db2.gz	QXHVLVSULWMTCV-CKBZYNTQSA-N	-5	1	746.570	1.717	40	30	in-vitro	KDEBML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000150343815	571459133	/nfs/dbraw/zinc/45/91/33/571459133.db2.gz	XLNCEHRXXWQMPK-PSDMEASCSA-N	-5	1	746.570	1.717	40	30		KDEBML
CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000299817163	1066353526	/nfs/dbraw/zinc/35/35/26/1066353526.db2.gz	ISABAHOXJQMRQU-FRDVSSODSA-N	-3	1	907.907	1.422	40	30	in-vitro	KDEBML
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OCC)c2)C(=O)[N-]C1=S	ZINC000408902699	1066209661	/nfs/dbraw/zinc/20/96/61/1066209661.db2.gz	QCYVMUXXLFJXML-IZZDOVSWSA-N	-2	1	516.313	1.966	40	30		KDEBML
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000408903358	1066397605	/nfs/dbraw/zinc/39/76/05/1066397605.db2.gz	RNBYJDPERYYTIE-BJMVGYQFSA-N	-2	1	502.286	1.576	40	30		KDEBML
O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000409415841	1066405277	/nfs/dbraw/zinc/40/52/77/1066405277.db2.gz	KBXPFAMZTAAOQS-UHFFFAOYSA-N	-3	1	538.537	1.992	40	30		KDEBML