smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)c1	ZINC000000203671	175278171	/nfs/dbraw/zinc/27/81/71/175278171.db2.gz	WQEGJAXFVWYZJH-UHFFFAOYSA-N	2	2	247.302	1.117	1	0		BDAFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1F	ZINC000016981847	534964510	/nfs/dbraw/zinc/96/45/10/534964510.db2.gz	RSIUZWCURMWOOT-UHFFFAOYSA-N	2	2	235.266	1.011	1	0		BDAFLP
C[NH2+][C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1	ZINC000299831307	364811936	/nfs/dbraw/zinc/81/19/36/364811936.db2.gz	JBOXBEMBMIBJRE-SNVBAGLBSA-N	2	2	220.320	1.398	1	0		BDAFLP
NC(=[NH2+])SCCc1cn2ccccc2[nH+]1	ZINC000001633355	181192091	/nfs/dbraw/zinc/19/20/91/181192091.db2.gz	GNVIMKJNYYZCRX-UHFFFAOYSA-N	2	2	220.301	1.503	1	0		BDAFLP
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C[NH3+]	ZINC000028948114	175201561	/nfs/dbraw/zinc/20/15/61/175201561.db2.gz	VGUFUCJGTJBSQU-LBPRGKRZSA-N	2	2	231.299	1.322	1	0		BDAFLP
Cc1[nH]cc(-c2cc3c(c(F)c2)O[C@H](C[NH3+])C3)[nH+]1	ZINC000067872303	642714332	/nfs/dbraw/zinc/71/43/32/642714332.db2.gz	SAZGASDPJBTIDZ-JTQLQIEISA-N	2	2	247.273	1.786	1	0		BDAFLP
CC(C)Cn1c[nH+]cc1CN[C@H]1CCC[NH2+]C1	ZINC000067447355	187273709	/nfs/dbraw/zinc/27/37/09/187273709.db2.gz	YCKHGMDQXHGUCL-LBPRGKRZSA-N	2	2	236.363	1.381	1	0		BDAFLP
Cc1[nH]cc(-c2cc3c(c(F)c2)O[C@@H](C[NH3+])C3)[nH+]1	ZINC000067872304	642714380	/nfs/dbraw/zinc/71/43/80/642714380.db2.gz	SAZGASDPJBTIDZ-SNVBAGLBSA-N	2	2	247.273	1.786	1	0		BDAFLP
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C[NH3+]	ZINC000028948112	175202087	/nfs/dbraw/zinc/20/20/87/175202087.db2.gz	VGUFUCJGTJBSQU-GFCCVEGCSA-N	2	2	231.299	1.322	1	0		BDAFLP
Cc1cc2[nH+]cn(CC3=[NH+]CCN3)c2cc1C	ZINC000073198093	178304776	/nfs/dbraw/zinc/30/47/76/178304776.db2.gz	QANWZYWIKGNZNH-UHFFFAOYSA-N	2	2	228.299	1.655	1	0		BDAFLP
C[NH+](C)CCOc1ccc(-n2cc[nH+]c2)cc1	ZINC000013588742	188105863	/nfs/dbraw/zinc/10/58/63/188105863.db2.gz	YXXLYPOJAQBHAQ-UHFFFAOYSA-N	2	2	231.299	1.813	1	0		BDAFLP
CC(C)Cn1c[nH+]cc1CN[C@@H]1CCC[NH2+]C1	ZINC000067447354	188305086	/nfs/dbraw/zinc/30/50/86/188305086.db2.gz	YCKHGMDQXHGUCL-GFCCVEGCSA-N	2	2	236.363	1.381	1	0		BDAFLP
CCc1[nH+]c2ccccc2n1CC1=[NH+]CCN1	ZINC000073199622	172014144	/nfs/dbraw/zinc/01/41/44/172014144.db2.gz	ZWQFZXLJBRXVFM-UHFFFAOYSA-N	2	2	228.299	1.600	1	0		BDAFLP
COc1ccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)cc1	ZINC000045287148	175149611	/nfs/dbraw/zinc/14/96/11/175149611.db2.gz	DFVDDOBYWPTYDI-UHFFFAOYSA-N	2	2	247.302	1.117	1	0		BDAFLP
[NH3+]CC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3	ZINC000029478034	181393402	/nfs/dbraw/zinc/39/34/02/181393402.db2.gz	NSGVZGCSZFVTKK-ZIAGYGMSSA-N	2	2	243.354	1.179	1	0		BDAFLP
[NH3+]CC[N@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3	ZINC000029478034	181393404	/nfs/dbraw/zinc/39/34/04/181393404.db2.gz	NSGVZGCSZFVTKK-ZIAGYGMSSA-N	2	2	243.354	1.179	1	0		BDAFLP
C[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc[nH+]nc1)C2	ZINC000013519627	173207556	/nfs/dbraw/zinc/20/75/56/173207556.db2.gz	WDVGXWCRUNFCBQ-CMPLNLGQSA-N	2	2	218.304	1.150	1	0		BDAFLP
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cc[nH+]nc1)C2	ZINC000013519627	173207558	/nfs/dbraw/zinc/20/75/58/173207558.db2.gz	WDVGXWCRUNFCBQ-CMPLNLGQSA-N	2	2	218.304	1.150	1	0		BDAFLP
Cc1[nH+]ccn1Cc1c[nH+]c(C)c(O)c1CO	ZINC000028376013	180164588	/nfs/dbraw/zinc/16/45/88/180164588.db2.gz	KJAGCXIZLRWRPD-UHFFFAOYSA-N	2	2	233.271	1.141	1	0		BDAFLP