smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCn1cc(NC2=[NH+]CCCC2)cn1	ZINC000217806600	388381643	/nfs/dbraw/zinc/38/16/43/388381643.db2.gz	TYAXQGRBMVVJJM-UHFFFAOYSA-N	1	1	222.292	1.524	40	70		BDIBMO
COCCn1nc(C)c(NC2=[NH+]CCC2)c1C	ZINC000217804432	388382218	/nfs/dbraw/zinc/38/22/18/388382218.db2.gz	XZNIQRSDTSNCFM-UHFFFAOYSA-N	1	1	236.319	1.751	40	70		BDIBMO
FCCn1cc(NC2=[NH+]CCCC2)cn1	ZINC000217806294	388382094	/nfs/dbraw/zinc/38/20/94/388382094.db2.gz	IJTHUDKNWYBXOI-UHFFFAOYSA-N	1	1	210.256	1.847	40	70		BDIBMO
CC(C)Sc1nc2c(c(=O)[nH]1)C[N@H+](C)CC2	ZINC000216845211	167339373	/nfs/dbraw/zinc/33/93/73/167339373.db2.gz	RFUXIPUZJXVIBU-UHFFFAOYSA-N	1	1	239.344	1.258	40	70		BDIBMO
CC(C)Sc1nc2c(c(=O)[nH]1)C[N@@H+](C)CC2	ZINC000216845211	167339378	/nfs/dbraw/zinc/33/93/78/167339378.db2.gz	RFUXIPUZJXVIBU-UHFFFAOYSA-N	1	1	239.344	1.258	40	70		BDIBMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216908930	385874818	/nfs/dbraw/zinc/87/48/18/385874818.db2.gz	CPUMRFUYCXVDDT-QWRGUYRKSA-N	1	1	212.337	1.633	40	70		BDIBMO
C[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)C1	ZINC000216906397	173040186	/nfs/dbraw/zinc/04/01/86/173040186.db2.gz	VOANUNJJHONOJY-QNWHQSFQSA-N	1	1	236.359	1.633	40	70		BDIBMO
CCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216917596	168293817	/nfs/dbraw/zinc/29/38/17/168293817.db2.gz	IVQXOYUZGMIQMC-SNVBAGLBSA-N	1	1	212.337	1.633	40	70		BDIBMO
COCCn1cc(NC2=[NH+]CCCCC2)cn1	ZINC000217813473	388382266	/nfs/dbraw/zinc/38/22/66/388382266.db2.gz	CPUMWTWSUPKVEP-UHFFFAOYSA-N	1	1	236.319	1.914	40	70		BDIBMO
CCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216917615	168295589	/nfs/dbraw/zinc/29/55/89/168295589.db2.gz	IVQXOYUZGMIQMC-JTQLQIEISA-N	1	1	212.337	1.633	40	70		BDIBMO
C[N@H+]1CCC[C@@H](C(=O)N2CCCC(C)(C)C2)C1	ZINC000216913913	188356100	/nfs/dbraw/zinc/35/61/00/188356100.db2.gz	OHENXTLOEGATGV-GFCCVEGCSA-N	1	1	238.375	1.977	40	70		BDIBMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216908900	169492653	/nfs/dbraw/zinc/49/26/53/169492653.db2.gz	CPUMRFUYCXVDDT-WDEREUQCSA-N	1	1	212.337	1.633	40	70		BDIBMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216908873	169368274	/nfs/dbraw/zinc/36/82/74/169368274.db2.gz	CPUMRFUYCXVDDT-GHMZBOCLSA-N	1	1	212.337	1.633	40	70		BDIBMO
C[N@H+]1CCC[C@H](C(=O)N2CCCC(C)(C)C2)C1	ZINC000216913941	173038491	/nfs/dbraw/zinc/03/84/91/173038491.db2.gz	OHENXTLOEGATGV-LBPRGKRZSA-N	1	1	238.375	1.977	40	70		BDIBMO
C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)C1	ZINC000216906368	323092295	/nfs/dbraw/zinc/09/22/95/323092295.db2.gz	VOANUNJJHONOJY-UMSGYPCISA-N	1	1	236.359	1.633	40	70		BDIBMO