smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO	ZINC000001768312	331467628	/nfs/dbraw/zinc/46/76/28/331467628.db2.gz	BBSALHCDRCTCBV-UHFFFAOYSA-N	0	3	324.553	5.171	40	30		DKEBHN
CC(C)(C)c1cc(/C=N/C2CCCCC2)cc(C(C)(C)C)c1O	ZINC000003149770	180986213	/nfs/dbraw/zinc/98/62/13/180986213.db2.gz	WRDWZTRUQVJCNH-HYARGMPZSA-N	0	3	315.501	5.739	40	30		DKEBHN
C=CCN(CC=C)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000005283052	181226281	/nfs/dbraw/zinc/22/62/81/181226281.db2.gz	LAROARVBVCCAFP-UHFFFAOYSA-N	0	3	311.428	5.758	40	30		DKEBHN
N=C(Nc1cccc2ccccc21)Nc1cccc2ccccc21	ZINC000005594319	563330505	/nfs/dbraw/zinc/33/05/05/563330505.db2.gz	ZRFIENOINCBMSZ-UHFFFAOYSA-N	0	3	311.388	5.051	40	30		DKEBHN
C[C@@H](C/C=N\CC/N=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000022796498	182334929	/nfs/dbraw/zinc/33/49/29/182334929.db2.gz	XPDSARUMAVQAKY-KBMCMPRBSA-N	0	3	308.554	6.053	40	30		DKEBHN
C=CC[C@H](C(=N)[C@](C#N)(CC=C)C1=CCCCC1)C1=CCCCC1	ZINC000031688685	563440651	/nfs/dbraw/zinc/44/06/51/563440651.db2.gz	QWMQIKGXVYZEGB-UNMCSNQZSA-N	0	3	322.496	6.285	40	30		DKEBHN
C=CC[C@@H](C(=N)[C@](C#N)(CC=C)C1=CCCCC1)C1=CCCCC1	ZINC000031688689	563440685	/nfs/dbraw/zinc/44/06/85/563440685.db2.gz	QWMQIKGXVYZEGB-IRLDBZIGSA-N	0	3	322.496	6.285	40	30		DKEBHN
CCCCCCCC[C@@H](C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000100047047	563545500	/nfs/dbraw/zinc/54/55/00/563545500.db2.gz	RMUJGJJPZJRQSW-SJLPKXTDSA-N	0	3	319.445	5.291	40	30		DKEBHN
CCCCCCCC[C@H](C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000100047048	563545507	/nfs/dbraw/zinc/54/55/07/563545507.db2.gz	RMUJGJJPZJRQSW-FUHWJXTLSA-N	0	3	319.445	5.291	40	30		DKEBHN
CCCCCCCC[C@@H](C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000100047049	256559614	/nfs/dbraw/zinc/55/96/14/256559614.db2.gz	RMUJGJJPZJRQSW-AEFFLSMTSA-N	0	3	319.445	5.291	40	30		DKEBHN
CCCCCCCC[C@H](C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000100047050	563545550	/nfs/dbraw/zinc/54/55/50/563545550.db2.gz	RMUJGJJPZJRQSW-WMZOPIPTSA-N	0	3	319.445	5.291	40	30		DKEBHN
CCCCCCCCCCCCc1ccc([O-])c(C[NH+](C)C)c1	ZINC000100303971	563549461	/nfs/dbraw/zinc/54/94/61/563549461.db2.gz	ZANCIPWMTNNIRZ-UHFFFAOYSA-N	0	3	319.533	5.917	40	30		DKEBHN
CCCCCCCCCCCCCCCCCCNCCC#N	ZINC000100309227	563549454	/nfs/dbraw/zinc/54/94/54/563549454.db2.gz	GUBPKKGRODRXPY-UHFFFAOYSA-N	0	3	322.581	6.751	40	30		DKEBHN
CCCCCCCCCCCCCCCC(=O)CCN(C)C	ZINC000100934681	563554706	/nfs/dbraw/zinc/55/47/06/563554706.db2.gz	ASWWPGSOWWHKTF-UHFFFAOYSA-N	0	3	311.554	5.989	40	30		DKEBHN
CCCCCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000102559580	563559609	/nfs/dbraw/zinc/55/96/09/563559609.db2.gz	YRAAOKMBKBEONL-UHFFFAOYSA-N	0	3	323.839	5.799	40	30		DKEBHN
CCCCCCCNCc1ccc(-c2cccc(Cl)c2C)o1	ZINC000102559706	563559381	/nfs/dbraw/zinc/55/93/81/563559381.db2.gz	JASCJUNYTSMVSS-UHFFFAOYSA-N	0	3	319.876	5.968	40	30		DKEBHN
CCCCCCCCNCc1ccc(-c2cccc(Cl)c2)o1	ZINC000102560681	563559246	/nfs/dbraw/zinc/55/92/46/563559246.db2.gz	NUOQEOCYHVVUJI-UHFFFAOYSA-N	0	3	319.876	6.050	40	30		DKEBHN
CCCCCCCNCc1ccc(-c2cccc(Cl)c2)o1	ZINC000102560726	563559452	/nfs/dbraw/zinc/55/94/52/563559452.db2.gz	JIGNHASHLMGHOI-UHFFFAOYSA-N	0	3	305.849	5.660	40	30		DKEBHN
CCCCCCCCNCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000102560870	563559508	/nfs/dbraw/zinc/55/95/08/563559508.db2.gz	VJRLLBHTJYGXPN-UHFFFAOYSA-N	0	3	319.876	6.050	40	30		DKEBHN
CCCCCCCNCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000102560901	563559275	/nfs/dbraw/zinc/55/92/75/563559275.db2.gz	NQLNGRSFGANMSG-UHFFFAOYSA-N	0	3	305.849	5.660	40	30		DKEBHN
CCCCCCCCNCc1ccc(-c2ccccc2F)o1	ZINC000102561073	563559348	/nfs/dbraw/zinc/55/93/48/563559348.db2.gz	FSTCJGBHARHPEZ-UHFFFAOYSA-N	0	3	303.421	5.536	40	30		DKEBHN
CCCCCCCCNCc1cc(Cl)cc(Cl)c1OC	ZINC000102561704	563559483	/nfs/dbraw/zinc/55/94/83/563559483.db2.gz	COXLHDCJNYLQGH-UHFFFAOYSA-N	0	3	318.288	5.452	40	30		DKEBHN
CCCCCCCNCc1cc(Cl)cc(Cl)c1OCC	ZINC000102566599	563559312	/nfs/dbraw/zinc/55/93/12/563559312.db2.gz	FTVKPOPXWQPCKS-UHFFFAOYSA-N	0	3	318.288	5.452	40	30		DKEBHN
CCCCCCCNCc1cc(Cl)cc(Cl)c1OC	ZINC000102570984	256572214	/nfs/dbraw/zinc/57/22/14/256572214.db2.gz	VRUQAMAKXMSWRH-UHFFFAOYSA-N	0	3	304.261	5.062	40	30		DKEBHN
CCCCCCCCCCCCCCC(=O)OCCN(C)C	ZINC000104071982	563562119	/nfs/dbraw/zinc/56/21/19/563562119.db2.gz	YDAFEAGUDJFURU-UHFFFAOYSA-N	0	3	313.526	5.182	40	30		DKEBHN
C[C@@H](C/C=N\CC/N=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259726	563563710	/nfs/dbraw/zinc/56/37/10/563563710.db2.gz	XPDSARUMAVQAKY-FNZAMBHKSA-N	0	3	308.554	6.053	40	30		DKEBHN
C[C@@H](C/C=N/CC/N=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259732	563563897	/nfs/dbraw/zinc/56/38/97/563563897.db2.gz	XPDSARUMAVQAKY-CVNJYVSTSA-N	0	3	308.554	6.053	40	30		DKEBHN
C[C@@H](C/C=N/CC/N=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259739	563563857	/nfs/dbraw/zinc/56/38/57/563563857.db2.gz	XPDSARUMAVQAKY-MECGADHSSA-N	0	3	308.554	6.053	40	30		DKEBHN
CCCCCCCCCC[C@@H](CN(C)C)C(=O)c1ccccc1	ZINC000104358142	563564498	/nfs/dbraw/zinc/56/44/98/563564498.db2.gz	DXUVODRIPJESKK-FQEVSTJZSA-N	0	3	317.517	5.578	40	30		DKEBHN
CCCCCCCCCC[C@H](CN(C)C)C(=O)c1ccccc1	ZINC000104358146	563564341	/nfs/dbraw/zinc/56/43/41/563564341.db2.gz	DXUVODRIPJESKK-HXUWFJFHSA-N	0	3	317.517	5.578	40	30		DKEBHN