smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2nc(-c3ccc(-c4nc5ccc(C(N)=[NH2+])cc5[nH]4)o3)[nH]c2c1	ZINC000005974298	204159739	/nfs/dbraw/zinc/15/97/39/204159739.db2.gz	FZFQYUOWNRDPNY-UHFFFAOYSA-N	2	2	384.403	2.934	1	0		GFAFLP
COc1ccc(-c2[nH+]c3n(c2Nc2ccc(F)cc2)CCN(C(=O)C[NH3+])C3)cc1	ZINC000072110247	205305427	/nfs/dbraw/zinc/30/54/27/205305427.db2.gz	KPQJMZIHXXMVKZ-UHFFFAOYSA-N	2	2	395.438	2.742	1	0		GFAFLP
CC(C)([NH3+])C(=O)N1CCn2c([nH+]c(-c3ccc(F)cc3)c2Nc2cccnc2)C1	ZINC000072108910	205305764	/nfs/dbraw/zinc/30/57/64/205305764.db2.gz	LLVCSBQXVLWSIT-UHFFFAOYSA-N	2	2	394.454	2.907	1	0		GFAFLP
CCCCN1C(=O)c2cccc3c(NCC[NH2+]CC[NH+](C)C)ccc(c32)C1=O	ZINC000096273416	208300838	/nfs/dbraw/zinc/30/08/38/208300838.db2.gz	IKXSHOOFJBVKNK-UHFFFAOYSA-N	2	2	382.508	2.799	1	0		GFAFLP
C[NH+]1CCN(c2[nH+]c(N)nc3[nH]c(-c4ccc(Br)cc4)cc32)CC1	ZINC000095596442	136182473	/nfs/dbraw/zinc/18/24/73/136182473.db2.gz	DSBUVAUEIHFCMH-UHFFFAOYSA-N	2	2	387.285	2.721	1	0		GFAFLP
[NH3+]CC(=O)N1CCn2c([nH+]c(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1	ZINC000072109184	211070497	/nfs/dbraw/zinc/07/04/97/211070497.db2.gz	UENKIJBSQWAMCX-UHFFFAOYSA-N	2	2	383.402	2.873	1	0		GFAFLP
CN(C)P1(N(C)C)=[NH+]P(N(C)C)(N(C)C)=[NH+]P(N2CC2)(N2CC2)=N1	ZINC000028762821	207348329	/nfs/dbraw/zinc/34/83/29/207348329.db2.gz	XVPFFQVWQMBEBL-UHFFFAOYSA-N	2	2	395.373	2.716	1	0		GFAFLP
Cc1ccc(N2N=[O+]C(=O)C2C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1	ZINC000103194323	136190853	/nfs/dbraw/zinc/19/08/53/136190853.db2.gz	MCWXXMHWJGEDEY-UHFFFAOYSA-O	2	2	385.875	2.941	1	0		GFAFLP
COc1nn(-c2ccccc2)c2cc(N3CC[NH+](C4CC[NH2+]CC4)CC3)ccc21	ZINC000072177198	136167471	/nfs/dbraw/zinc/16/74/71/136167471.db2.gz	BTTVJKUPEPLYOO-UHFFFAOYSA-N	2	2	391.519	2.908	1	0		GFAFLP
[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cn[nH+]c3ccccc32)CC1	ZINC000064540815	136157010	/nfs/dbraw/zinc/15/70/10/136157010.db2.gz	ZUEHQYQGGOAIRP-GOSISDBHSA-N	2	2	395.894	2.502	1	0		GFAFLP
[NH3+]CC(=O)N1CCn2c([nH+]c(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1	ZINC000072108965	222206263	/nfs/dbraw/zinc/20/62/63/222206263.db2.gz	HZKYHEJDIBLOJJ-UHFFFAOYSA-N	2	2	383.402	2.873	1	0		GFAFLP