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@H]1CCC(N=Nc2cc(Cl)ccc2O)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040640695	205074107	/nfs/dbraw/zinc/07/41/07/205074107.db2.gz	QZXBQMNTUAHQPZ-XQWREMRISA-N	-1	1	362.773	2.472	1	30		FEEFMM
COc1cc(NN=C2CC[C@@H](C)n3c(=O)c(C(=O)[O-])cnc32)cc(OC)c1	ZINC000040465632	208254882	/nfs/dbraw/zinc/25/48/82/208254882.db2.gz	HZOFFLLTBFASCA-DLSWAODISA-N	-1	1	372.381	2.130	1	30		FEEFMM
C=C(C)[C@@H]1C[C@@]23C([O-])=C(C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772881	571817152	/nfs/dbraw/zinc/81/71/52/571817152.db2.gz	MFJWBSPRMQOETE-VYXKRKKGSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C=C(C)[C@@H]1C[C@@]23C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772881	571817158	/nfs/dbraw/zinc/81/71/58/571817158.db2.gz	MFJWBSPRMQOETE-VYXKRKKGSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
COc1cc(NN=C2CC[C@@H](C)n3c(=O)c(C(=O)[O-])cnc32)cc(OC)c1	ZINC000100761414	209217189	/nfs/dbraw/zinc/21/71/89/209217189.db2.gz	HZOFFLLTBFASCA-XAMWDBKFSA-N	-1	1	372.381	2.130	1	30		FEEFMM
CC(=O)c1ccc(NN=C2CC[C@@H](C)n3c(=O)c(C(=O)[O-])cnc32)cc1	ZINC000038153691	208200022	/nfs/dbraw/zinc/20/00/22/208200022.db2.gz	TWZWOPVJIXEVNO-XAMWDBKFSA-N	-1	1	354.366	2.315	1	30		FEEFMM
C=C(C)[C@@H]1C[C@@]23C([O-])=C(C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772887	571817053	/nfs/dbraw/zinc/81/70/53/571817053.db2.gz	MFJWBSPRMQOETE-GLTYWKJESA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C=C(C)[C@@H]1C[C@@]23C(=O)C(=C([O-])CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772887	571817057	/nfs/dbraw/zinc/81/70/57/571817057.db2.gz	MFJWBSPRMQOETE-GLTYWKJESA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C[C@@H]1CCC(N=Nc2cc(Cl)ccc2O)c2ncc(C(=O)[O-])c(=O)n21	ZINC000101177393	209221958	/nfs/dbraw/zinc/22/19/58/209221958.db2.gz	QZXBQMNTUAHQPZ-AGIVMUTNSA-N	-1	1	362.773	2.472	1	30		FEEFMM
C=CC[C@]1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)[N-]C(=O)N(C)C1=O	ZINC000095552123	210085243	/nfs/dbraw/zinc/08/52/43/210085243.db2.gz	XOFGLRKYNSZCQZ-AWEZNQCLSA-N	-1	1	366.299	2.390	1	30		FEEFMM
COc1cc(NN=C2CC[C@H](C)n3c(=O)c(C(=O)[O-])cnc32)cc(OC)c1	ZINC000100761419	222251881	/nfs/dbraw/zinc/25/18/81/222251881.db2.gz	HZOFFLLTBFASCA-FHUWPUKUSA-N	-1	1	372.381	2.130	1	30		FEEFMM
CC1(C)OC2=C(C(=O)c3cc([O-])cc(O)c3C2=O)C2C=C(CO)CC[C@H]21	ZINC000014612339	560223071	/nfs/dbraw/zinc/22/30/71/560223071.db2.gz	PTWDQKQKJHACJW-DGCLKSJQSA-N	-1	1	356.374	2.485	1	30	in-vitro	FEEFMM
C[C@H]1CCC(N=Nc2cc(Cl)ccc2O)c2ncc(C(=O)[O-])c(=O)n21	ZINC000101177404	222265687	/nfs/dbraw/zinc/26/56/87/222265687.db2.gz	QZXBQMNTUAHQPZ-BJTBEYEDSA-N	-1	1	362.773	2.472	1	30		FEEFMM
COc1cc2c(c(OC)c1)[C@@H](/C=C1\Oc3cc([O-])cc(O)c3C1=O)C(=O)O2	ZINC000102150556	222291302	/nfs/dbraw/zinc/29/13/02/222291302.db2.gz	OKCWZQNBQJECDI-CBQSTYFFSA-N	-1	1	370.313	2.277	1	30		FEEFMM
C[C@H]1CCC[C@H]2O[C@@H]2COc2ccc(cc2)C[C@H]2NC(=O)C(=C1[O-])C2=O	ZINC000103186608	222322985	/nfs/dbraw/zinc/32/29/85/222322985.db2.gz	MMJLIEREEJXFMU-YECRGUBPSA-N	-1	1	357.406	2.075	1	30		FEEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(S(N)(=O)=O)cc2C2=CCCCC2)n1	ZINC000103285563	222332488	/nfs/dbraw/zinc/33/24/88/222332488.db2.gz	OPOGKQJPRMZSCG-UHFFFAOYSA-N	-1	1	371.422	2.138	1	30		FEEFMM
CC(=O)c1cccc(N=NC2CC[C@@H](C)n3c(=O)c(C(=O)[O-])cnc32)c1	ZINC000040466705	211746730	/nfs/dbraw/zinc/74/67/30/211746730.db2.gz	WFPIINAFLDJVCZ-XAMWDBKFSA-N	-1	1	354.366	2.315	1	30		FEEFMM
CC(=O)c1cccc(N=NC2CC[C@H](C)n3c(=O)c(C(=O)[O-])cnc32)c1	ZINC000040466707	205071883	/nfs/dbraw/zinc/07/18/83/205071883.db2.gz	WFPIINAFLDJVCZ-FLEUSOHUSA-N	-1	1	354.366	2.315	1	30		FEEFMM
[O-]c1ccc(/C=N/N=C/c2ccc3no[n+]([O-])c3c2)cc1Br	ZINC000040893321	208274847	/nfs/dbraw/zinc/27/48/47/208274847.db2.gz	XAKGHVURVHYXGW-GDWCLCACSA-N	-1	1	361.155	2.382	1	30		FEEFMM
O=C(/C=C/C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1)NO	ZINC000013604337	210143291	/nfs/dbraw/zinc/14/32/91/210143291.db2.gz	VITAMFDLUUGKDU-FARCUNLSSA-N	-1	1	360.366	2.040	1	30		FEEFMM
C=C(C)[C@@H]1C[C@@]23C([O-])=C(C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772889	571816880	/nfs/dbraw/zinc/81/68/80/571816880.db2.gz	MFJWBSPRMQOETE-VCOCTOFQSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C=C(C)[C@@H]1C[C@@]23C(=O)C(=C([O-])CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772889	571816884	/nfs/dbraw/zinc/81/68/84/571816884.db2.gz	MFJWBSPRMQOETE-VCOCTOFQSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C=C(C)[C@@H]1C[C@@]23C([O-])=C(C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772884	571816911	/nfs/dbraw/zinc/81/69/11/571816911.db2.gz	MFJWBSPRMQOETE-ZGEDZEBPSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
C=C(C)[C@@H]1C[C@@]23C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100772884	571816914	/nfs/dbraw/zinc/81/69/14/571816914.db2.gz	MFJWBSPRMQOETE-ZGEDZEBPSA-N	-1	1	360.450	2.298	1	30	endogenous,in-man	FEEFMM
COc1cc2c(c(OC)c1)[C@H](/C=C1\Oc3cc([O-])cc(O)c3C1=O)C(=O)O2	ZINC000053242682	221043358	/nfs/dbraw/zinc/04/33/58/221043358.db2.gz	OKCWZQNBQJECDI-VNCYPQDWSA-N	-1	1	370.313	2.277	1	30		FEEFMM