smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CC[C@H](C[N@H+](CC)Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000952868153	1334583788	/nfs/dbraw/zinc/58/37/88/1334583788.db2.gz	CDYOKCDPAFRCDY-INIZCTEOSA-N	1	3	334.529	3.034	50	30		EGEAHO
CCN1CC[C@H](C[N@@H+](CC)Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000952868153	1334583794	/nfs/dbraw/zinc/58/37/94/1334583794.db2.gz	CDYOKCDPAFRCDY-INIZCTEOSA-N	1	3	334.529	3.034	50	30		EGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785581	210279451	/nfs/dbraw/zinc/27/94/51/210279451.db2.gz	UYRCRUUNGCPQQJ-DZBQEORWSA-N	1	3	336.482	3.249	50	30		EGEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000000070477	277022065	/nfs/dbraw/zinc/02/20/65/277022065.db2.gz	YRYKSVAWKIVTBE-OWHAOFTHSA-N	1	3	332.853	3.477	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000244685585	455275897	/nfs/dbraw/zinc/27/58/97/455275897.db2.gz	ISTLFIQBNBWVQL-JMVFIXPQSA-N	1	3	328.456	3.278	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000244685585	455275900	/nfs/dbraw/zinc/27/59/00/455275900.db2.gz	ISTLFIQBNBWVQL-JMVFIXPQSA-N	1	3	328.456	3.278	50	30		EGEAHO
C=CCN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1	ZINC000095520041	454226765	/nfs/dbraw/zinc/22/67/65/454226765.db2.gz	USLGSIDOVTVDGE-HXUWFJFHSA-N	1	3	346.515	3.309	50	30		EGEAHO
C=CCN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1	ZINC000095520041	454226771	/nfs/dbraw/zinc/22/67/71/454226771.db2.gz	USLGSIDOVTVDGE-HXUWFJFHSA-N	1	3	346.515	3.309	50	30		EGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785968	210278327	/nfs/dbraw/zinc/27/83/27/210278327.db2.gz	YCZWUJYTVGKREK-DZBQEORWSA-N	1	3	338.498	3.473	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@@H](N(C)CCC[NH+](C)C)C1	ZINC000020998748	212197292	/nfs/dbraw/zinc/19/72/92/212197292.db2.gz	GDTGNXLPEKRPND-HXUWFJFHSA-N	1	3	345.531	3.099	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@@H]([N@@H+](C)CCCN(C)C)C1	ZINC000020998748	212197294	/nfs/dbraw/zinc/19/72/94/212197294.db2.gz	GDTGNXLPEKRPND-HXUWFJFHSA-N	1	3	345.531	3.099	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@@H]([N@H+](C)CCCN(C)C)C1	ZINC000020998748	212197296	/nfs/dbraw/zinc/19/72/96/212197296.db2.gz	GDTGNXLPEKRPND-HXUWFJFHSA-N	1	3	345.531	3.099	50	30		EGEAHO
CCN1CC[C@@H](C[N@H+](CC)Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000952868157	1334584018	/nfs/dbraw/zinc/58/40/18/1334584018.db2.gz	CDYOKCDPAFRCDY-MRXNPFEDSA-N	1	3	334.529	3.034	50	30		EGEAHO
CCN1CC[C@@H](C[N@@H+](CC)Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000952868157	1334584020	/nfs/dbraw/zinc/58/40/20/1334584020.db2.gz	CDYOKCDPAFRCDY-MRXNPFEDSA-N	1	3	334.529	3.034	50	30		EGEAHO
CSc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000013756117	453488945	/nfs/dbraw/zinc/48/89/45/453488945.db2.gz	JIQZZEFQTIJNID-DZZSIBQASA-N	1	3	326.512	3.406	50	30		EGEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000000070485	452497525	/nfs/dbraw/zinc/49/75/25/452497525.db2.gz	YRYKSVAWKIVTBE-XAXWUXFESA-N	1	3	332.853	3.477	50	30		EGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785582	452819068	/nfs/dbraw/zinc/81/90/68/452819068.db2.gz	UYRCRUUNGCPQQJ-JVVDOCDTSA-N	1	3	336.482	3.249	50	30		EGEAHO
C=CCN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1	ZINC000095520042	454226602	/nfs/dbraw/zinc/22/66/02/454226602.db2.gz	USLGSIDOVTVDGE-FQEVSTJZSA-N	1	3	346.515	3.309	50	30		EGEAHO
C=CCN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1	ZINC000095520042	454226607	/nfs/dbraw/zinc/22/66/07/454226607.db2.gz	USLGSIDOVTVDGE-FQEVSTJZSA-N	1	3	346.515	3.309	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000004696770	210250548	/nfs/dbraw/zinc/25/05/48/210250548.db2.gz	ISTLFIQBNBWVQL-DUPRYPCISA-N	1	3	328.456	3.278	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000004696770	210250552	/nfs/dbraw/zinc/25/05/52/210250552.db2.gz	ISTLFIQBNBWVQL-DUPRYPCISA-N	1	3	328.456	3.278	50	30		EGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785967	210278351	/nfs/dbraw/zinc/27/83/51/210278351.db2.gz	YCZWUJYTVGKREK-JVVDOCDTSA-N	1	3	338.498	3.473	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000001201076	452646484	/nfs/dbraw/zinc/64/64/84/452646484.db2.gz	ISTLFIQBNBWVQL-HBXLWWENSA-N	1	3	328.456	3.278	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000001201076	452646493	/nfs/dbraw/zinc/64/64/93/452646493.db2.gz	ISTLFIQBNBWVQL-HBXLWWENSA-N	1	3	328.456	3.278	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@H](N(C)CCC[NH+](C)C)C1	ZINC000020998750	212198355	/nfs/dbraw/zinc/19/83/55/212198355.db2.gz	GDTGNXLPEKRPND-FQEVSTJZSA-N	1	3	345.531	3.099	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@H]([N@@H+](C)CCCN(C)C)C1	ZINC000020998750	212198358	/nfs/dbraw/zinc/19/83/58/212198358.db2.gz	GDTGNXLPEKRPND-FQEVSTJZSA-N	1	3	345.531	3.099	50	30		EGEAHO
C=CCOc1ccccc1CN1CCC[C@H]([N@H+](C)CCCN(C)C)C1	ZINC000020998750	212198364	/nfs/dbraw/zinc/19/83/64/212198364.db2.gz	GDTGNXLPEKRPND-FQEVSTJZSA-N	1	3	345.531	3.099	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013509774	453467626	/nfs/dbraw/zinc/46/76/26/453467626.db2.gz	ISTLFIQBNBWVQL-WQDJSCAQSA-N	1	3	328.456	3.278	50	30		EGEAHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509774	453467632	/nfs/dbraw/zinc/46/76/32/453467632.db2.gz	ISTLFIQBNBWVQL-WQDJSCAQSA-N	1	3	328.456	3.278	50	30		EGEAHO
CSc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000013756115	546516924	/nfs/dbraw/zinc/51/69/24/546516924.db2.gz	JIQZZEFQTIJNID-PFSWGADMSA-N	1	3	326.512	3.406	50	30		EGEAHO