smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004721284	556007930	/nfs/dbraw/zinc/00/79/30/556007930.db2.gz	NDANLQWBKGUAPN-HVMFNXBNSA-N	1	0	434.462	-0.208	40	5		IBBBRO
CC(=O)OC[C@@H]1O[C@@H](OCC[N+](C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004721285	556007865	/nfs/dbraw/zinc/00/78/65/556007865.db2.gz	NDANLQWBKGUAPN-VPAKFMSCSA-N	1	0	434.462	-0.208	40	5		IBBBRO
CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004721287	556007874	/nfs/dbraw/zinc/00/78/74/556007874.db2.gz	NDANLQWBKGUAPN-ZSXDVEMLSA-N	1	0	434.462	-0.208	40	5		IBBBRO
CC(=O)OC[C@@H]1O[C@@H](OCC[N+](C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004721288	556007934	/nfs/dbraw/zinc/00/79/34/556007934.db2.gz	NDANLQWBKGUAPN-XCDZQEORSA-N	1	0	434.462	-0.208	40	5		IBBBRO
C[C@@H]1C(=O)O[C@@H]2CC[N+]3(C(=O)C(F)(F)F)C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000004995147	556026386	/nfs/dbraw/zinc/02/63/86/556026386.db2.gz	DTXMRZDEXQCIEY-JCKSVNHYSA-N	1	0	438.375	-0.578	40	5		IBBBRO
C[C@H]1C(=O)O[C@@H]2CC[N+]3(C(=O)C(F)(F)F)C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000004995148	556026479	/nfs/dbraw/zinc/02/64/79/556026479.db2.gz	DTXMRZDEXQCIEY-GAJARLMQSA-N	1	0	438.375	-0.578	40	5		IBBBRO
C[C@@H]1C(=O)O[C@H]2CC[N+]3(C(=O)C(F)(F)F)C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000004995149	556026425	/nfs/dbraw/zinc/02/64/25/556026425.db2.gz	DTXMRZDEXQCIEY-YDLXIODZSA-N	1	0	438.375	-0.578	40	5		IBBBRO
C[C@H]1C(=O)O[C@H]2CC[N+]3(C(=O)C(F)(F)F)C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000004995151	556026429	/nfs/dbraw/zinc/02/64/29/556026429.db2.gz	DTXMRZDEXQCIEY-LGOLXBHASA-N	1	0	438.375	-0.578	40	5		IBBBRO