smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCNc1ccc(C(=O)NCCN(C)C)cc1	ZINC000095554759	185379603	/nfs/dbraw/zinc/37/96/03/185379603.db2.gz	UAMMQPLQZVNVSI-UHFFFAOYSA-N	0	3	319.493	3.750	1	30		DHEFHN
N#C[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21	ZINC000040891927	183146504	/nfs/dbraw/zinc/14/65/04/183146504.db2.gz	JHTMCOQNMIGDFK-LJQANCHMSA-N	0	3	322.383	3.912	1	30		DHEFHN
CCCCCCCCc1ccc(CC[C@](N)(CO)OC)cc1	ZINC000073199667	191292019	/nfs/dbraw/zinc/29/20/19/191292019.db2.gz	WTIARAGRFLNSKC-LJQANCHMSA-N	0	3	307.478	3.816	1	30		DHEFHN
C#CCN[C@@H]1CCc2ccc(OC(=O)N(CC)CCCC)cc21	ZINC000013492254	181856306	/nfs/dbraw/zinc/85/63/06/181856306.db2.gz	BEARQABAQRNDEO-GOSISDBHSA-N	0	3	314.429	3.518	1	30		DHEFHN
CC(C)N1CC[C@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095589578	185382150	/nfs/dbraw/zinc/38/21/50/185382150.db2.gz	XMCNFUKMIGPZJH-FRSZACSASA-N	0	3	300.324	3.539	1	30		DHEFHN
Cc1ccc(SCC=NN=C2NC(=S)C(C)S2)cc1	ZINC000064454350	184297485	/nfs/dbraw/zinc/29/74/85/184297485.db2.gz	LXRQLYFWHPDMEA-FBWGLTFQSA-N	0	3	309.485	3.893	1	30		DHEFHN
CC(C)N1CC[C@@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095589579	185382001	/nfs/dbraw/zinc/38/20/01/185382001.db2.gz	XMCNFUKMIGPZJH-MRGVZLDZSA-N	0	3	300.324	3.539	1	30		DHEFHN
[O-]c1ccc(F)cc1/C=N/C1CC[NH+](Cc2ccccc2)CC1	ZINC000064499449	184298740	/nfs/dbraw/zinc/29/87/40/184298740.db2.gz	PELFZLSDFXNLDP-FYJGNVAPSA-N	0	3	312.388	3.615	1	30		DHEFHN
C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](O)[C@@H](C)CN1C	ZINC000096888329	185390344	/nfs/dbraw/zinc/39/03/44/185390344.db2.gz	VCXCXXJJHZVDSD-GJGHSUIPSA-N	0	3	324.468	3.582	1	30		DHEFHN
N#C[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1	ZINC000013491889	181856098	/nfs/dbraw/zinc/85/60/98/181856098.db2.gz	KQVOKKPXXIWBKQ-IBGZPJMESA-N	0	3	318.420	3.643	1	30		DHEFHN
CC1SC(=NN=CCCSc2ccccc2)NC1=S	ZINC000064447421	184297052	/nfs/dbraw/zinc/29/70/52/184297052.db2.gz	NXKOUGDVYBSIMT-CEITULEQSA-N	0	3	309.485	3.974	1	30		DHEFHN
N#C[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21	ZINC000040891925	183146067	/nfs/dbraw/zinc/14/60/67/183146067.db2.gz	JHTMCOQNMIGDFK-IBGZPJMESA-N	0	3	322.383	3.912	1	30		DHEFHN
CCN(CC)c1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)c(O)c1	ZINC000005560552	181258015	/nfs/dbraw/zinc/25/80/15/181258015.db2.gz	LJBUOLHKNQZFLL-LLVHFCNSSA-N	0	3	303.450	3.835	1	30		DHEFHN
CCN(CC)c1ccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)c(O)c1	ZINC000005560551	181257708	/nfs/dbraw/zinc/25/77/08/181257708.db2.gz	LJBUOLHKNQZFLL-KDEJXXTKSA-N	0	3	303.450	3.835	1	30		DHEFHN
CCCCCCC[C@@]1(C2=NCCN2)COc2ccccc2O1	ZINC000042765126	183306267	/nfs/dbraw/zinc/30/62/67/183306267.db2.gz	DXLMPTWICIGKMT-SFHVURJKSA-N	0	3	302.418	3.559	1	30		DHEFHN
CC1SC(=NN=CCCSc2ccccc2)NC1=S	ZINC000064447419	184296996	/nfs/dbraw/zinc/29/69/96/184296996.db2.gz	NXKOUGDVYBSIMT-WWNSAXIVSA-N	0	3	309.485	3.974	1	30		DHEFHN
Cc1ccc(SCC=NN=C2NC(=S)C(C)S2)cc1	ZINC000064454349	184297692	/nfs/dbraw/zinc/29/76/92/184297692.db2.gz	LXRQLYFWHPDMEA-UQDQQJHMSA-N	0	3	309.485	3.893	1	30		DHEFHN
CCCCCCC[C@]1(C2=NCCN2)COc2ccccc2O1	ZINC000042765121	183306379	/nfs/dbraw/zinc/30/63/79/183306379.db2.gz	DXLMPTWICIGKMT-GOSISDBHSA-N	0	3	302.418	3.559	1	30		DHEFHN