smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3\NC(=O)C(C(C)C)S3)c2)cc1	ZINC000009090632	521213955	/nfs/dbraw/zinc/21/39/55/521213955.db2.gz	PVGJWYJOGNTYOF-PPRFWAEMSA-N	0	3	461.565	3.431	40	30		JGEBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1C#N	ZINC000408604539	569970513	/nfs/dbraw/zinc/97/05/13/569970513.db2.gz	KDBUWMNABLPTPU-CSKARUKUSA-N	0	3	477.433	3.254	40	30		JGEBHN
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)N1CCN(CCOC)CC1)C2	ZINC000049171744	519345842	/nfs/dbraw/zinc/34/58/42/519345842.db2.gz	IWIKULLWDMLBGX-ZEQRLZLVSA-N	0	3	450.627	3.057	40	30	biogenic,in-vitro	JGEBHN
COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]32)cc1OC	ZINC000009286680	555060464	/nfs/dbraw/zinc/06/04/64/555060464.db2.gz	ODXRMYXJGOGYEL-YLJAHXGGSA-N	0	3	473.610	3.415	40	30		JGEBHN
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(c3ccccc3)CC2)c1	ZINC000008635965	560106835	/nfs/dbraw/zinc/10/68/35/560106835.db2.gz	DHSCNZPZIUFJEW-JCYRPKCISA-N	0	3	458.610	3.212	40	30	biogenic,in-vitro	JGEBHN
CN1CCN(CCCCN2C(=O)CN(N=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1	ZINC000299888520	570177863	/nfs/dbraw/zinc/17/78/63/570177863.db2.gz	MREBEPTUUMTTIA-UHFFFAOYSA-N	0	3	457.962	3.226	40	30	investigational	JGEBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(C#N)cc1	ZINC000408608146	569971774	/nfs/dbraw/zinc/97/17/74/569971774.db2.gz	VECGKEAMAASSSN-UXBLZVDNSA-N	0	3	477.433	3.254	40	30		JGEBHN
CCOc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3/NC(=O)C(C(C)C)S3)c2)cc1	ZINC000009090631	521213209	/nfs/dbraw/zinc/21/32/09/521213209.db2.gz	PVGJWYJOGNTYOF-MEGCXXLRSA-N	0	3	461.565	3.431	40	30		JGEBHN
COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]32)cc1OC	ZINC000009286686	555060490	/nfs/dbraw/zinc/06/04/90/555060490.db2.gz	ODXRMYXJGOGYEL-JJKQGLOWSA-N	0	3	473.610	3.415	40	30		JGEBHN
C(=N/CCCN1CCN(CCC/N=C\c2ccc3c(c2)OCO3)CC1)\c1ccc2c(c1)OCO2	ZINC000104067861	569840270	/nfs/dbraw/zinc/84/02/70/569840270.db2.gz	YTLGFZCNZPURJH-HJVIKEODSA-N	0	3	464.566	3.080	40	30		JGEBHN
COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]32)cc1OC	ZINC000009286683	555060500	/nfs/dbraw/zinc/06/05/00/555060500.db2.gz	ODXRMYXJGOGYEL-UYPQCDRRSA-N	0	3	473.610	3.415	40	30		JGEBHN
C/C(=N\N=C(N)N)[C@@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000031841524	556408878	/nfs/dbraw/zinc/40/88/78/556408878.db2.gz	AQPJMCDVXOBJBK-CNSZDYTCSA-N	0	3	461.566	3.382	40	30		JGEBHN
COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]32)cc1OC	ZINC000035225535	569678505	/nfs/dbraw/zinc/67/85/05/569678505.db2.gz	ODXRMYXJGOGYEL-PKZHYYAPSA-N	0	3	473.610	3.415	40	30		JGEBHN
C(=N/CCCN1CCN(CCC/N=C/c2ccc3c(c2)OCO3)CC1)\c1ccc2c(c1)OCO2	ZINC000104067866	569840281	/nfs/dbraw/zinc/84/02/81/569840281.db2.gz	YTLGFZCNZPURJH-XUIWWLCJSA-N	0	3	464.566	3.080	40	30		JGEBHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000019972716	555574391	/nfs/dbraw/zinc/57/43/91/555574391.db2.gz	DMTYSCKZWZOEAI-JOCHJYFZSA-N	0	3	454.523	3.242	40	30		JGEBHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000019972717	555574323	/nfs/dbraw/zinc/57/43/23/555574323.db2.gz	DMTYSCKZWZOEAI-QFIPXVFZSA-N	0	3	454.523	3.242	40	30		JGEBHN
N#Cc1cccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)c(NS(=O)(=O)c4cccc(F)c4)ccc23)c1	ZINC000003841487	194363590	/nfs/dbraw/zinc/36/35/90/194363590.db2.gz	PBOWGDXPIMUWBO-VQTJNVASSA-N	0	3	478.549	3.279	40	30	biogenic,in-vitro	JGEBHN