smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)ccc1O	ZINC000067852501	282145748	/nfs/dbraw/zinc/14/57/48/282145748.db2.gz	SIIJTHGHGRKWSN-UHFFFAOYSA-N	3	0	317.477	2.372	50	10		DECARP
Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000071825371	402283392	/nfs/dbraw/zinc/28/33/92/402283392.db2.gz	MKQVMGRMYKPHTB-AWEZNQCLSA-N	2	0	313.449	2.321	50	10		DECARP
COc1ccc(N2CC[N@H+](C[C@H]3CC[NH2+]C3)CC2(C)C)cc1	ZINC000107120841	402226298	/nfs/dbraw/zinc/22/62/98/402226298.db2.gz	PCAPVYMLUTUKNL-HNNXBMFYSA-N	2	0	303.450	2.205	50	10		DECARP
COCc1cc(C[NH2+]CCNc2cc[nH+]cc2C)ccc1OC	ZINC000952992158	792853282	/nfs/dbraw/zinc/85/32/82/792853282.db2.gz	ZRBZNTJDALTBSG-UHFFFAOYSA-N	2	0	315.417	2.169	50	10		DECARP
C[NH+](C)Cc1cc(-c2nccn2CC[NH+]2CCCC2)ccc1O	ZINC000071750461	191021638	/nfs/dbraw/zinc/02/16/38/191021638.db2.gz	VVHLKISPVPCLCK-UHFFFAOYSA-N	2	0	314.433	2.413	50	10		DECARP
COc1ccc(N2CC[N@H+](C[C@@H]3CC[NH2+]C3)CC2(C)C)cc1	ZINC000077471789	401816588	/nfs/dbraw/zinc/81/65/88/401816588.db2.gz	PCAPVYMLUTUKNL-OAHLLOKOSA-N	2	0	303.450	2.205	50	10		DECARP
Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000071825372	402283547	/nfs/dbraw/zinc/28/35/47/402283547.db2.gz	MKQVMGRMYKPHTB-CQSZACIVSA-N	2	0	313.449	2.321	50	10		DECARP