smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1CCC[N@H+](Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586346	521297415	/nfs/dbraw/zinc/29/74/15/521297415.db2.gz	WDINQMWAMRXRIJ-VUQQOUJSSA-N	1	2	427.522	4.153	10	30		IIEELO
CCOC(=O)[C@H]1CCC[N@@H+](Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586346	521297427	/nfs/dbraw/zinc/29/74/27/521297427.db2.gz	WDINQMWAMRXRIJ-VUQQOUJSSA-N	1	2	427.522	4.153	10	30		IIEELO
COc1cccc([C@@H](C[NH+]2CCN(C(=O)CCC(C)C)CC2)OCc2ccc(C#N)cc2)c1	ZINC000022647415	524096423	/nfs/dbraw/zinc/09/64/23/524096423.db2.gz	JGLOKBYSRGEURJ-AREMUKBSSA-N	1	2	449.595	4.405	10	30		IIEELO
CCN(CC)c1ccc(C=[NH+]Nc2nnc(SCC(=O)c3cccc(OC)c3)[nH]2)cc1	ZINC000020608653	520882652	/nfs/dbraw/zinc/88/26/52/520882652.db2.gz	YHWLRTFFGMAXEB-OEAKJJBVSA-N	1	2	438.557	4.081	10	30		IIEELO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586345	521114758	/nfs/dbraw/zinc/11/47/58/521114758.db2.gz	WDINQMWAMRXRIJ-MXDDHBLUSA-N	1	2	427.522	4.153	10	30		IIEELO
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586345	521114766	/nfs/dbraw/zinc/11/47/66/521114766.db2.gz	WDINQMWAMRXRIJ-MXDDHBLUSA-N	1	2	427.522	4.153	10	30		IIEELO
COc1cccc([C@H](C[NH+]2CCN(C(=O)CCC(C)C)CC2)OCc2ccc(C#N)cc2)c1	ZINC000022647419	524159436	/nfs/dbraw/zinc/15/94/36/524159436.db2.gz	JGLOKBYSRGEURJ-SANMLTNESA-N	1	2	449.595	4.405	10	30		IIEELO
CN(C)c1ccc(C=[NH+]Nc2nnc(SCc3cccc(Br)c3)[nH]2)cc1	ZINC000020215652	556999179	/nfs/dbraw/zinc/99/91/79/556999179.db2.gz	AOJPRDOUODPJTB-RGVLZGJSSA-N	1	2	431.363	4.372	10	30		IIEELO
C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](NC(=O)c3cc(C)nc4ccccc43)C[C@H]2C(=O)OC)CC1	ZINC000055342384	518643873	/nfs/dbraw/zinc/64/38/73/518643873.db2.gz	UKFUPTULQSIAPI-OTPAQWSUSA-N	1	2	447.579	4.192	10	30		IIEELO
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](NC(=O)c3cc(C)nc4ccccc43)C[C@H]2C(=O)OC)CC1	ZINC000055342384	518643879	/nfs/dbraw/zinc/64/38/79/518643879.db2.gz	UKFUPTULQSIAPI-OTPAQWSUSA-N	1	2	447.579	4.192	10	30		IIEELO
C=CCOC(=O)[C@@H]([NH3+])Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1	ZINC000095748796	518974721	/nfs/dbraw/zinc/97/47/21/518974721.db2.gz	LSYZWILWBZGXQL-SANMLTNESA-N	1	2	437.543	4.322	10	30		IIEELO