smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCC[NH+](Cc2ccccc2O)C3)s1	ZINC000014878917	525739675	/nfs/dbraw/zinc/73/96/75/525739675.db2.gz	UMIADNUDFXYLEQ-NRFANRHFSA-N	2	0	478.658	5.544	50	10		JKCARP
COc1cccc(C[NH2+]CCCCCCCCCCCC[NH2+]Cc2cccc(OC)c2O)c1O	ZINC000019880871	555526217	/nfs/dbraw/zinc/52/62/17/555526217.db2.gz	LDDXZARETFOMLN-UHFFFAOYSA-N	2	0	472.670	5.895	50	10		JKCARP
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC000044124573	526351428	/nfs/dbraw/zinc/35/14/28/526351428.db2.gz	GZKBHEJPMAZTGA-HSZRJFAPSA-N	2	0	465.041	6.178	50	10		JKCARP
Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCC[NH+](Cc2ccccc2O)C3)s1	ZINC000014878916	525741049	/nfs/dbraw/zinc/74/10/49/525741049.db2.gz	UMIADNUDFXYLEQ-OAQYLSRUSA-N	2	0	478.658	5.544	50	10		JKCARP
CCCCN(CCCC)c1ccc(C=Cc2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1	ZINC000004262508	194386647	/nfs/dbraw/zinc/38/66/47/194386647.db2.gz	OKZXHSSXTVFTDR-UHFFFAOYSA-N	2	0	451.743	6.818	50	10	in-vivo	JKCARP
CC(C)c1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000027468839	556279052	/nfs/dbraw/zinc/27/90/52/556279052.db2.gz	RRMJFDFUDJNFEX-UHFFFAOYSA-N	2	0	484.688	5.160	50	10		JKCARP
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1	ZINC000044124577	526351849	/nfs/dbraw/zinc/35/18/49/526351849.db2.gz	GZKBHEJPMAZTGA-QHCPKHFHSA-N	2	0	465.041	6.178	50	10		JKCARP
c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000008916713	554811212	/nfs/dbraw/zinc/81/12/12/554811212.db2.gz	CHEGZEWTNWNRPZ-UHFFFAOYSA-N	2	0	462.556	8.577	50	10		JKCARP