smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC([NH2+]Cc2ccccc2O)CC(C)(C)[NH2+]1	ZINC000000089481	169532463	/nfs/dbraw/zinc/53/24/63/169532463.db2.gz	ISXGYJNEVXELQL-UHFFFAOYSA-N	2	0	262.397	2.791	50	10		CFCARP
Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C	ZINC000245798190	650836836	/nfs/dbraw/zinc/83/68/36/650836836.db2.gz	XLHUNOZTGQWCHW-GOEBONIOSA-N	2	0	276.424	2.924	50	10		CFCARP
CC[NH+](CC)Cc1cc(O)c(C[NH+](CC)CC)cc1O	ZINC000000078156	169528671	/nfs/dbraw/zinc/52/86/71/169528671.db2.gz	NVTLOLOYAHYCBL-UHFFFAOYSA-N	2	0	280.412	2.781	50	10		CFCARP
CCN(CC)c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000040719369	174385519	/nfs/dbraw/zinc/38/55/19/174385519.db2.gz	LAWXYDKGAZFFQB-UHFFFAOYSA-N	2	0	275.440	2.622	50	10		CFCARP
c1ccc(-c2c[n+]3ccccc3c3cccc[n+]32)cc1	ZINC000000245480	371568620	/nfs/dbraw/zinc/56/86/20/371568620.db2.gz	MOBHWGVIDVXITO-UHFFFAOYSA-N	2	0	258.324	2.831	50	10		CFCARP
CC(C)[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1	ZINC000020188925	171055054	/nfs/dbraw/zinc/05/50/54/171055054.db2.gz	QAFBBMRATMCNCF-UHFFFAOYSA-N	2	0	275.440	2.715	50	10		CFCARP
CCN(CC)c1ccc(C[NH2+]CCC[NH+](C)C)cc1	ZINC000002518424	371731261	/nfs/dbraw/zinc/73/12/61/371731261.db2.gz	LLMYSLRVMKGGSF-UHFFFAOYSA-N	2	0	263.429	2.574	50	10		CFCARP
Cc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C	ZINC000023847493	372266231	/nfs/dbraw/zinc/26/62/31/372266231.db2.gz	OWUUQYYPSBCKAD-UHFFFAOYSA-N	2	0	297.402	2.726	50	10		CFCARP
CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)CCCN2C	ZINC000032919809	372476804	/nfs/dbraw/zinc/47/68/04/372476804.db2.gz	XGGRJYIPNHRVSM-UHFFFAOYSA-N	2	0	289.467	2.891	50	10		CFCARP
Cc1ccc(O)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1	ZINC000097229199	375542446	/nfs/dbraw/zinc/54/24/46/375542446.db2.gz	JPJULZIVTANKCE-UHFFFAOYSA-N	2	0	274.408	2.665	50	10		CFCARP
Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1C	ZINC000245798197	650836926	/nfs/dbraw/zinc/83/69/26/650836926.db2.gz	XLHUNOZTGQWCHW-HOCLYGCPSA-N	2	0	276.424	2.924	50	10		CFCARP
CN1CCc2cc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)ccc21	ZINC000240569389	382982469	/nfs/dbraw/zinc/98/24/69/382982469.db2.gz	HAFKJWYOXHROQD-KRWDZBQOSA-N	2	0	296.418	2.540	50	10		CFCARP
CC[NH2+]CCC[NH2+]Cc1ccc(N(CC)CC)cc1	ZINC000013735187	372046339	/nfs/dbraw/zinc/04/63/39/372046339.db2.gz	XEWUCEAXFFIIDO-UHFFFAOYSA-N	2	0	263.429	2.622	50	10		CFCARP