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+]1CCC(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1	ZINC000159904043	362379209	/nfs/dbraw/zinc/37/92/09/362379209.db2.gz	JQDDGXOXZDIBTO-JKSUJKDBSA-N	2	3	265.445	1.935	20	70		CDIDHP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209986	363758220	/nfs/dbraw/zinc/75/82/20/363758220.db2.gz	ZKXXBQQVKRXHSM-BFYDXBDKSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209986	363758223	/nfs/dbraw/zinc/75/82/23/363758223.db2.gz	ZKXXBQQVKRXHSM-BFYDXBDKSA-N	2	3	296.503	1.331	20	70		CDIDHP
CC[N@@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1	ZINC000160190415	363740336	/nfs/dbraw/zinc/74/03/36/363740336.db2.gz	WELCTEBFFJZMLU-WBVHZDCISA-N	2	3	296.503	1.332	20	70		CDIDHP
CC[N@H+]1CC[C@H](NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1	ZINC000160190415	363740338	/nfs/dbraw/zinc/74/03/38/363740338.db2.gz	WELCTEBFFJZMLU-WBVHZDCISA-N	2	3	296.503	1.332	20	70		CDIDHP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209715	363757854	/nfs/dbraw/zinc/75/78/54/363757854.db2.gz	ZKXXBQQVKRXHSM-INMHGKMJSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209715	363757859	/nfs/dbraw/zinc/75/78/59/363757859.db2.gz	ZKXXBQQVKRXHSM-INMHGKMJSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C	ZINC000160160547	362041275	/nfs/dbraw/zinc/04/12/75/362041275.db2.gz	SLWZIHLHFUYWNJ-GJZGRUSLSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C	ZINC000160160547	362041279	/nfs/dbraw/zinc/04/12/79/362041279.db2.gz	SLWZIHLHFUYWNJ-GJZGRUSLSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209842	363757979	/nfs/dbraw/zinc/75/79/79/363757979.db2.gz	ZKXXBQQVKRXHSM-VYDXJSESSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160209842	363757982	/nfs/dbraw/zinc/75/79/82/363757982.db2.gz	ZKXXBQQVKRXHSM-VYDXJSESSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C	ZINC000160160206	362041356	/nfs/dbraw/zinc/04/13/56/362041356.db2.gz	SLWZIHLHFUYWNJ-HUUCEWRRSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C	ZINC000160160206	362041357	/nfs/dbraw/zinc/04/13/57/362041357.db2.gz	SLWZIHLHFUYWNJ-HUUCEWRRSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C	ZINC000160160318	291146068	/nfs/dbraw/zinc/14/60/68/291146068.db2.gz	SLWZIHLHFUYWNJ-LSDHHAIUSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C	ZINC000160160318	291146071	/nfs/dbraw/zinc/14/60/71/291146071.db2.gz	SLWZIHLHFUYWNJ-LSDHHAIUSA-N	2	3	282.476	1.085	20	70		CDIDHP
C[NH+]1CCC(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1	ZINC000159903915	362378681	/nfs/dbraw/zinc/37/86/81/362378681.db2.gz	JQDDGXOXZDIBTO-HZPDHXFCSA-N	2	3	265.445	1.935	20	70		CDIDHP
CC[N@@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1	ZINC000160190552	363740196	/nfs/dbraw/zinc/74/01/96/363740196.db2.gz	WELCTEBFFJZMLU-NVXWUHKLSA-N	2	3	296.503	1.332	20	70		CDIDHP
CC[N@H+]1CC[C@@H](NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1	ZINC000160190552	363740199	/nfs/dbraw/zinc/74/01/99/363740199.db2.gz	WELCTEBFFJZMLU-NVXWUHKLSA-N	2	3	296.503	1.332	20	70		CDIDHP
C[C@@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C	ZINC000160160421	362040691	/nfs/dbraw/zinc/04/06/91/362040691.db2.gz	SLWZIHLHFUYWNJ-CABCVRRESA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C	ZINC000160160421	362040693	/nfs/dbraw/zinc/04/06/93/362040693.db2.gz	SLWZIHLHFUYWNJ-CABCVRRESA-N	2	3	282.476	1.085	20	70		CDIDHP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160210092	363758264	/nfs/dbraw/zinc/75/82/64/363758264.db2.gz	ZKXXBQQVKRXHSM-HLLBOEOZSA-N	2	3	296.503	1.331	20	70		CDIDHP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCC([NH+](C)C)CC1	ZINC000160210092	363758266	/nfs/dbraw/zinc/75/82/66/363758266.db2.gz	ZKXXBQQVKRXHSM-HLLBOEOZSA-N	2	3	296.503	1.331	20	70		CDIDHP