smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)Cc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC	ZINC000012480880	520743397	/nfs/dbraw/zinc/74/33/97/520743397.db2.gz	SWFPGDLVJWRTLK-KRWDZBQOSA-N	2	0	442.554	5.160	50	10		IKCARP
CC[NH+](CC)Cc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC	ZINC000012480886	520744463	/nfs/dbraw/zinc/74/44/63/520744463.db2.gz	SWFPGDLVJWRTLK-QGZVFWFLSA-N	2	0	442.554	5.160	50	10		IKCARP
c1ccc2c(c1)[nH+]c1ccccc1c2NCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000005208883	556731375	/nfs/dbraw/zinc/73/13/75/556731375.db2.gz	RLOKQEOHNQQWOA-UHFFFAOYSA-N	2	0	428.539	7.004	50	10		IKCARP
CC/C(=C(/CC)c1ccc(O)c(C[NH+](CC)CC)c1)c1ccc(O)c(C[NH+](CC)CC)c1	ZINC000017289894	556674762	/nfs/dbraw/zinc/67/47/62/556674762.db2.gz	QFNJFVBKASKGEU-OCEACIFDSA-N	2	0	438.656	6.512	50	10	in-vitro	IKCARP
c1ccc2c(c1)[nH+]c1ccccc1c2N1CCN(c2c3ccccc3[nH+]c3ccccc32)CC1	ZINC000004016183	132268542	/nfs/dbraw/zinc/26/85/42/132268542.db2.gz	XTKZVYQACBEXRA-UHFFFAOYSA-N	2	0	440.550	6.416	50	10		IKCARP
CCN(CC)c1ccc(/C=C\C=C/C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1	ZINC000033364576	520883431	/nfs/dbraw/zinc/88/34/31/520883431.db2.gz	QIMSZQJQVSKLAI-UHFFFAOYSA-N	2	0	447.711	6.370	50	10	in-vitro	IKCARP
COc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c(O)c1	ZINC000011821922	556363366	/nfs/dbraw/zinc/36/33/66/556363366.db2.gz	JKEQLJSGEYBEAB-UHFFFAOYSA-N	2	0	445.607	5.019	50	10		IKCARP
COc1ccc(O)c(C[N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000012076568	556397981	/nfs/dbraw/zinc/39/79/81/556397981.db2.gz	DIFSSUQGIPDYDE-UHFFFAOYSA-N	2	0	445.607	5.019	50	10		IKCARP
Cc1c(Sc2cc(C(C)C)c(O)c(C[NH+](C)C)c2C)cc(C(C)C)c(O)c1C[NH+](C)C	ZINC000071769667	556887796	/nfs/dbraw/zinc/88/77/96/556887796.db2.gz	IZMBDGJMARSUPB-UHFFFAOYSA-N	2	0	444.685	6.236	50	10		IKCARP
COc1cccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1O	ZINC000011821597	556658415	/nfs/dbraw/zinc/65/84/15/556658415.db2.gz	GUJIHKHVKVISPB-UHFFFAOYSA-N	2	0	445.607	5.019	50	10		IKCARP