smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000004261885	552454142	/nfs/dbraw/zinc/45/41/42/552454142.db2.gz	ORZHVTYKPFFVMG-UHFFFAOYSA-N	-3	1	672.665	1.668	50	30	in-vitro	KDEAML
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	ZINC000097949352	553801707	/nfs/dbraw/zinc/80/17/07/553801707.db2.gz	LKXJHTKDXMQMDM-DICZBTHZSA-N	-3	1	666.591	1.600	50	30	in-vitro	KDEAML
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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC000097949355	553801633	/nfs/dbraw/zinc/80/16/33/553801633.db2.gz	ANFYVAHJWGJYAT-QLCNXWICSA-N	-7	1	826.549	1.834	50	30	in-vitro	KDEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000097949358	553801612	/nfs/dbraw/zinc/80/16/12/553801612.db2.gz	LKXJHTKDXMQMDM-UCGOVMIJSA-N	-3	1	666.591	1.600	50	30	in-vitro	KDEAML
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	ZINC000097949360	553801656	/nfs/dbraw/zinc/80/16/56/553801656.db2.gz	XLNCEHRXXWQMPK-AWGZLWLLSA-N	-5	1	746.570	1.717	50	30	in-vitro	KDEAML
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	ZINC000097972490	553967065	/nfs/dbraw/zinc/96/70/65/553967065.db2.gz	XLNCEHRXXWQMPK-MJUMVPIBSA-N	-5	1	746.570	1.717	50	30	in-vitro	KDEAML
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](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000150339754	571457622	/nfs/dbraw/zinc/45/76/22/571457622.db2.gz	SNIQYSSXZJPPEL-LKTRINTESA-N	-3	1	666.591	1.600	50	30	in-vitro	KDEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC000150344366	571459291	/nfs/dbraw/zinc/45/92/91/571459291.db2.gz	QXHVLVSULWMTCV-DICZBTHZSA-N	-5	1	746.570	1.717	50	30	in-vitro	KDEAML
CC(=O)NCCCCCC(=O)NCC=Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000328578975	572146314	/nfs/dbraw/zinc/14/63/14/572146314.db2.gz	CYRZODCFBCHSSQ-KNQZRCRRSA-N	-3	1	678.418	1.447	50	30		KDEAML
CC(=O)NCCCCCC(=O)NCC=Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000328578975	572146313	/nfs/dbraw/zinc/14/63/13/572146313.db2.gz	CYRZODCFBCHSSQ-KNQZRCRRSA-N	-3	1	678.418	1.447	50	30		KDEAML
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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC001501016264	1066420218	/nfs/dbraw/zinc/42/02/18/1066420218.db2.gz	ANFYVAHJWGJYAT-AYKPBSGCSA-N	-7	1	826.549	1.834	50	30		KDEAML
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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC001501016265	1066420282	/nfs/dbraw/zinc/42/02/82/1066420282.db2.gz	ANFYVAHJWGJYAT-RIBZORGESA-N	-7	1	826.549	1.834	50	30		KDEAML
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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC001501016266	1066420235	/nfs/dbraw/zinc/42/02/35/1066420235.db2.gz	ANFYVAHJWGJYAT-TZPSRTRHSA-N	-7	1	826.549	1.834	50	30		KDEAML
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	ZINC001501016296	1066420266	/nfs/dbraw/zinc/42/02/66/1066420266.db2.gz	LKXJHTKDXMQMDM-DDHCIDQLSA-N	-3	1	666.591	1.600	50	30		KDEAML
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	ZINC001501016297	1066420026	/nfs/dbraw/zinc/42/00/26/1066420026.db2.gz	LKXJHTKDXMQMDM-FWDFURMPSA-N	-3	1	666.591	1.600	50	30		KDEAML
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	ZINC001501016298	1066420311	/nfs/dbraw/zinc/42/03/11/1066420311.db2.gz	LKXJHTKDXMQMDM-QSKLRZQQSA-N	-3	1	666.591	1.600	50	30		KDEAML
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	ZINC001501016299	1066420197	/nfs/dbraw/zinc/42/01/97/1066420197.db2.gz	LKXJHTKDXMQMDM-WKIOSHABSA-N	-3	1	666.591	1.600	50	30		KDEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H]1O)OC(=O)CCCCCCC	ZINC001501016332	1066420155	/nfs/dbraw/zinc/42/01/55/1066420155.db2.gz	QXHVLVSULWMTCV-PSDMEASCSA-N	-5	1	746.570	1.717	50	30		KDEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC	ZINC001501016334	1066420300	/nfs/dbraw/zinc/42/03/00/1066420300.db2.gz	QXHVLVSULWMTCV-WKIOSHABSA-N	-5	1	746.570	1.717	50	30		KDEAML
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](O)[C@@H]1O)OC(=O)CCCCCCC	ZINC001501016370	1066420178	/nfs/dbraw/zinc/42/01/78/1066420178.db2.gz	SNIQYSSXZJPPEL-AYKPBSGCSA-N	-3	1	666.591	1.600	50	30		KDEAML
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](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016373	1066420048	/nfs/dbraw/zinc/42/00/48/1066420048.db2.gz	SNIQYSSXZJPPEL-UCGOVMIJSA-N	-3	1	666.591	1.600	50	30		KDEAML
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](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016377	1066420112	/nfs/dbraw/zinc/42/01/12/1066420112.db2.gz	SNIQYSSXZJPPEL-XNWVOQPLSA-N	-3	1	666.591	1.600	50	30		KDEAML
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	ZINC001501016467	1066420848	/nfs/dbraw/zinc/42/08/48/1066420848.db2.gz	XLNCEHRXXWQMPK-CEPFNDDKSA-N	-5	1	746.570	1.717	50	30		KDEAML
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	ZINC001501016470	1066420792	/nfs/dbraw/zinc/42/07/92/1066420792.db2.gz	XLNCEHRXXWQMPK-FWDFURMPSA-N	-5	1	746.570	1.717	50	30		KDEAML
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	ZINC001501016472	1066420780	/nfs/dbraw/zinc/42/07/80/1066420780.db2.gz	XLNCEHRXXWQMPK-GBWMLQNXSA-N	-5	1	746.570	1.717	50	30		KDEAML
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	ZINC001501016475	1066420755	/nfs/dbraw/zinc/42/07/55/1066420755.db2.gz	XLNCEHRXXWQMPK-UQYSIPSHSA-N	-5	1	746.570	1.717	50	30		KDEAML
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	ZINC001501016477	1066420816	/nfs/dbraw/zinc/42/08/16/1066420816.db2.gz	XLNCEHRXXWQMPK-WFNDIFCDSA-N	-5	1	746.570	1.717	50	30		KDEAML
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	ZINC001501016479	1066420833	/nfs/dbraw/zinc/42/08/33/1066420833.db2.gz	XLNCEHRXXWQMPK-WGFHNBGPSA-N	-5	1	746.570	1.717	50	30		KDEAML