smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCC(C[NH2+]C[C@@H]2C[C@@H]2C)CC1	160703037	538048419	/nfs/dbraw/zinc/04/84/19/538048419.db2.gz	KYGZHXCJKJMYMT-MVKMKZAISA-N	1	0	195.350	3.058	10	70		AGIERO
CC1CCC(C[NH2+]C[C@@H]2C[C@H]2C)CC1	160703311	538048445	/nfs/dbraw/zinc/04/84/45/538048445.db2.gz	KYGZHXCJKJMYMT-KPFVRQRISA-N	1	0	195.350	3.058	10	70		AGIERO
CC1CCC(C[NH2+]C[C@H]2C[C@H]2C)CC1	160703431	538049169	/nfs/dbraw/zinc/04/91/69/538049169.db2.gz	KYGZHXCJKJMYMT-POOIEITISA-N	1	0	195.350	3.058	10	70		AGIERO
CC1CCC(C[NH2+]C[C@H]2C[C@@H]2C)CC1	160703171	538050617	/nfs/dbraw/zinc/05/06/17/538050617.db2.gz	KYGZHXCJKJMYMT-PYNQCMFNSA-N	1	0	195.350	3.058	10	70		AGIERO
C/C=C/CC[NH2+]CC1CCC(C)CC1	160704716	572055020	/nfs/dbraw/zinc/05/50/20/572055020.db2.gz	NUAAXCXHUXJVEM-ONEGZZNKSA-N	1	0	195.350	3.369	10	70		AGIERO
CCCCC[C@@]1(F)CCC[NH2+]CC1	160730265	572094617	/nfs/dbraw/zinc/09/46/17/572094617.db2.gz	LURICXCXCGUQPS-LLVKDONJSA-N	1	0	187.302	3.049	10	70		AGIERO
C[NH2+]CCCC/C=C\c1ccccc1	217363206	573433523	/nfs/dbraw/zinc/43/35/23/573433523.db2.gz	CIFZFOXKJNFFLN-UITAMQMPSA-N	1	0	189.302	3.090	10	70		AGIERO
CC[C@@H](C[NH3+])C/C=C\c1ccccc1	218216921	573619570	/nfs/dbraw/zinc/61/95/70/573619570.db2.gz	YPTHIYMRYAZCFM-XTOZHPGHSA-N	1	0	189.302	3.075	10	70		AGIERO
CC[C@@H]([NH2+]C(C)C)c1ccccc1F	159518531	486973126	/nfs/dbraw/zinc/97/31/26/486973126.db2.gz	ZGYVWDRAODQUCV-GFCCVEGCSA-N	1	0	195.281	3.275	10	70		AGIERO
CC[C@H]([NH2+]C(C)C)c1ccccc1F	159518417	486973768	/nfs/dbraw/zinc/97/37/68/486973768.db2.gz	ZGYVWDRAODQUCV-LBPRGKRZSA-N	1	0	195.281	3.275	10	70		AGIERO
CCCC[NH2+]C(C(C)C)C(C)C	218428749	490070195	/nfs/dbraw/zinc/07/01/95/490070195.db2.gz	IFSUSNZOAZMIBF-UHFFFAOYSA-N	1	0	171.328	3.057	10	70		AGIERO
CC(=[NH2+])NC1CC(C)(C)CC(C)(C)C1	160460258	344167160	/nfs/dbraw/zinc/16/71/60/344167160.db2.gz	UOJCDVWSYCERBF-UHFFFAOYSA-N	1	0	196.338	3.178	10	70		AGIERO
CCCC[N@H+](C(C)C)C1CCC1	218688372	409514298	/nfs/dbraw/zinc/51/42/98/409514298.db2.gz	DXMKBRSWWUYFSM-UHFFFAOYSA-N	1	0	169.312	3.049	10	70		AGIERO