smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H]1CCN2Cc3ccccc3C[C@H]2[C@H]1O	ZINC000026738888	187207398	/nfs/dbraw/zinc/20/73/98/187207398.db2.gz	LZVHAOCZNSTRFJ-PMPSAXMXSA-N	0	3	243.350	2.370	1	30		BEEFHN
C#CCN1CCC[C@H]2Cc3c(O)cccc3C[C@H]21	ZINC000012355925	188051836	/nfs/dbraw/zinc/05/18/36/188051836.db2.gz	LWAYUBPNHKMRNZ-DZGCQCFKSA-N	0	3	241.334	2.205	1	30		BEEFHN
C#CCN1CCC[C@@H]2Cc3ccccc3C[C@@H]21	ZINC000027411341	188234020	/nfs/dbraw/zinc/23/40/20/188234020.db2.gz	QBYJCHHMWPLLFC-CVEARBPZSA-N	0	3	225.335	2.499	1	30		BEEFHN
C=CCN(C)[C@@H](c1ccccc1)C1COCOC1	ZINC000039215610	166324578	/nfs/dbraw/zinc/32/45/78/166324578.db2.gz	DMQAFVTVTOQICO-HNNXBMFYSA-N	0	3	247.338	2.466	1	30		BEEFHN
CC1(C)[C@H]2C[C@@H]1C(/C=N/n1cnnc1)=CC2	ZINC000004924409	168003268	/nfs/dbraw/zinc/00/32/68/168003268.db2.gz	XXGDBFBBQLDWKK-QNISLJQISA-N	0	3	216.288	2.104	1	30		BEEFHN
C[C@H]1CCC/C(=C/[C@@H]2CCCN2C)C1=O	ZINC000013554137	177069262	/nfs/dbraw/zinc/06/92/62/177069262.db2.gz	DTYUINVVIMERIJ-JHSTVQJJSA-N	0	3	207.317	2.396	1	30		BEEFHN
C[C@H]1CCC/C(=C\[C@@H]2CCCN2C)C1=O	ZINC000013554133	177069280	/nfs/dbraw/zinc/06/92/80/177069280.db2.gz	DTYUINVVIMERIJ-CLCRQULESA-N	0	3	207.317	2.396	1	30		BEEFHN
CC1(C)[C@@H]2C[C@H]1C(/C=N/n1cnnc1)=CC2	ZINC000003255185	168009591	/nfs/dbraw/zinc/00/95/91/168009591.db2.gz	XXGDBFBBQLDWKK-UKEOCHLASA-N	0	3	216.288	2.104	1	30		BEEFHN
C#CCN1CCC[C@H]2Cc3ccccc3C[C@@H]21	ZINC000013781532	188051759	/nfs/dbraw/zinc/05/17/59/188051759.db2.gz	QBYJCHHMWPLLFC-HOTGVXAUSA-N	0	3	225.335	2.499	1	30		BEEFHN
Fc1ccccc1/C=N/O[C@H]1CN2CCC1CC2	ZINC000095590906	181010739	/nfs/dbraw/zinc/01/07/39/181010739.db2.gz	CGAOIVHZHYKSOV-FSEGOYHTSA-N	0	3	248.301	2.270	1	30		BEEFHN
[NH2+]=C(C[S-])NC12CC3CC(CC(C3)C1)C2	ZINC000002020591	181185503	/nfs/dbraw/zinc/18/55/03/181185503.db2.gz	JCAPKVLAOOSGIP-UHFFFAOYSA-N	0	3	224.373	2.452	1	30		BEEFHN
C=CCN(C)[C@H](c1ccccc1)C1COCOC1	ZINC000039215611	166322297	/nfs/dbraw/zinc/32/22/97/166322297.db2.gz	DMQAFVTVTOQICO-OAHLLOKOSA-N	0	3	247.338	2.466	1	30		BEEFHN
[NH2+]=C(C[S-])NC1C2CC3CC(C2)CC1C3	ZINC000001995458	181185614	/nfs/dbraw/zinc/18/56/14/181185614.db2.gz	IKVHPPJHLHMMBG-UHFFFAOYSA-N	0	3	224.373	2.308	1	30		BEEFHN
CC1(C)[C@@H]2C[C@H]1C(/C=N\n1cnnc1)=CC2	ZINC000033410082	168009531	/nfs/dbraw/zinc/00/95/31/168009531.db2.gz	XXGDBFBBQLDWKK-RVCWJPEXSA-N	0	3	216.288	2.104	1	30		BEEFHN
N=C(N)Nc1ncc(Cl)cc1-c1ccccc1	ZINC000013436548	181324698	/nfs/dbraw/zinc/32/46/98/181324698.db2.gz	MVJQALZRBJLVOJ-UHFFFAOYSA-N	0	3	246.701	2.307	1	30		BEEFHN
CN1CCC2(CC1)OC(c1ccccc1)=CC2=O	ZINC000026274181	173003249	/nfs/dbraw/zinc/00/32/49/173003249.db2.gz	XFXRVZLQXHZEKV-UHFFFAOYSA-N	0	3	243.306	2.091	1	30		BEEFHN
C[C@@H]1CCC/C(=C/[C@@H]2CCCN2C)C1=O	ZINC000013554136	176061934	/nfs/dbraw/zinc/06/19/34/176061934.db2.gz	DTYUINVVIMERIJ-JFTBMZSVSA-N	0	3	207.317	2.396	1	30		BEEFHN
CC(C)(C)C#C/C=C/CNCc1ccc(=O)[nH]c1	ZINC000029241965	187372010	/nfs/dbraw/zinc/37/20/10/187372010.db2.gz	ZQEJKHNHKFEWKM-GQCTYLIASA-N	0	3	244.338	2.483	1	30		BEEFHN
Fc1ccccc1/C=N/O[C@@H]1CN2CCC1CC2	ZINC000095590905	181010301	/nfs/dbraw/zinc/01/03/01/181010301.db2.gz	CGAOIVHZHYKSOV-BRYYZUPOSA-N	0	3	248.301	2.270	1	30		BEEFHN
C[C@@H]1CCC/C(=C\[C@@H]2CCCN2C)C1=O	ZINC000013554132	176062431	/nfs/dbraw/zinc/06/24/31/176062431.db2.gz	DTYUINVVIMERIJ-ZYHQFBDJSA-N	0	3	207.317	2.396	1	30		BEEFHN
Cc1cc(Cl)c(NC2=NCCN2)c(Cl)c1	ZINC000026181946	178061468	/nfs/dbraw/zinc/06/14/68/178061468.db2.gz	YGQVGNGEXWTIOK-UHFFFAOYSA-N	0	3	244.125	2.482	1	30		BEEFHN
CN1CCC2(CC1)OC=C(c1ccccc1)C2=O	ZINC000026289988	173003256	/nfs/dbraw/zinc/00/32/56/173003256.db2.gz	NOLDRBWIZVYXBC-UHFFFAOYSA-N	0	3	243.306	2.091	1	30		BEEFHN