smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588165	311356181	/nfs/dbraw/zinc/35/61/81/311356181.db2.gz	GTYSTMLIKDRLNZ-XLIONFOSSA-N	1	3	331.504	2.339	10	70		EEIEHO
CC[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588165	311356182	/nfs/dbraw/zinc/35/61/82/311356182.db2.gz	GTYSTMLIKDRLNZ-XLIONFOSSA-N	1	3	331.504	2.339	10	70		EEIEHO
CCN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588165	311356184	/nfs/dbraw/zinc/35/61/84/311356184.db2.gz	GTYSTMLIKDRLNZ-XLIONFOSSA-N	1	3	331.504	2.339	10	70		EEIEHO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2OCCN(C)C)[C@@H](C)C1	ZINC000161384291	463428118	/nfs/dbraw/zinc/42/81/18/463428118.db2.gz	DRMGXMGSMOSLCU-RDJZCZTQSA-N	1	3	333.476	2.086	10	70		EEIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2OCCN(C)C)[C@@H](C)C1	ZINC000161384291	463428124	/nfs/dbraw/zinc/42/81/24/463428124.db2.gz	DRMGXMGSMOSLCU-RDJZCZTQSA-N	1	3	333.476	2.086	10	70		EEIEHO
CCN1CCN(c2ccc(CN[C@H]3CC[N@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485908	311341882	/nfs/dbraw/zinc/34/18/82/311341882.db2.gz	BOIXCAJUIQZTHA-HKUYNNGSSA-N	1	3	345.535	2.043	10	70		EEIEHO
CCN1CCN(c2ccc(CN[C@H]3CC[N@@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485908	311341885	/nfs/dbraw/zinc/34/18/85/311341885.db2.gz	BOIXCAJUIQZTHA-HKUYNNGSSA-N	1	3	345.535	2.043	10	70		EEIEHO
CCN1CCN(c2ccc(C[NH2+][C@H]3CCN(CC)C[C@@H]3C)cn2)CC1	ZINC000159485908	311341889	/nfs/dbraw/zinc/34/18/89/311341889.db2.gz	BOIXCAJUIQZTHA-HKUYNNGSSA-N	1	3	345.535	2.043	10	70		EEIEHO
CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)[NH+](C)C	ZINC000160372878	463331468	/nfs/dbraw/zinc/33/14/68/463331468.db2.gz	TXJUCFVOKNXBNW-CGTJXYLNSA-N	1	3	332.492	2.139	10	70		EEIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2OCCN(C)C)C1	ZINC000161384163	463428163	/nfs/dbraw/zinc/42/81/63/463428163.db2.gz	DRMGXMGSMOSLCU-WBVHZDCISA-N	1	3	333.476	2.086	10	70		EEIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2OCCN(C)C)C1	ZINC000161384163	463428169	/nfs/dbraw/zinc/42/81/69/463428169.db2.gz	DRMGXMGSMOSLCU-WBVHZDCISA-N	1	3	333.476	2.086	10	70		EEIEHO
CN1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000159715803	311344981	/nfs/dbraw/zinc/34/49/81/311344981.db2.gz	FJSYGJRPVFFDTA-SFHVURJKSA-N	1	3	336.524	2.378	10	70		EEIEHO
C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(OCCN(C)C)c1	ZINC000159499957	533846403	/nfs/dbraw/zinc/84/64/03/533846403.db2.gz	LTCVTCLAHWOUFO-INIZCTEOSA-N	1	3	333.476	2.290	10	70		EEIEHO
C[N@H+](CCCN1CCCCC1)C1CCN(CCn2cccn2)CC1	ZINC000160954988	463384919	/nfs/dbraw/zinc/38/49/19/463384919.db2.gz	JOJKERNBMYSUEF-UHFFFAOYSA-N	1	3	333.524	2.155	10	70		EEIEHO
C[N@@H+](CCCN1CCCCC1)C1CCN(CCn2cccn2)CC1	ZINC000160954988	463384923	/nfs/dbraw/zinc/38/49/23/463384923.db2.gz	JOJKERNBMYSUEF-UHFFFAOYSA-N	1	3	333.524	2.155	10	70		EEIEHO
C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCCN(C)C)cc1	ZINC000159470038	206246942	/nfs/dbraw/zinc/24/69/42/206246942.db2.gz	IQMKIWBTFJUSKM-INIZCTEOSA-N	1	3	333.476	2.290	10	70		EEIEHO
C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCCN(C)C)cc1	ZINC000159470174	533381891	/nfs/dbraw/zinc/38/18/91/533381891.db2.gz	IQMKIWBTFJUSKM-MRXNPFEDSA-N	1	3	333.476	2.290	10	70		EEIEHO
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000160675338	463361637	/nfs/dbraw/zinc/36/16/37/463361637.db2.gz	CPBAURLXXLYRBB-MSOLQXFVSA-N	1	3	334.508	2.131	10	70		EEIEHO
CC[N@@H+]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588301	311355901	/nfs/dbraw/zinc/35/59/01/311355901.db2.gz	GTYSTMLIKDRLNZ-YLJYHZDGSA-N	1	3	331.504	2.339	10	70		EEIEHO
CC[N@H+]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588301	311355904	/nfs/dbraw/zinc/35/59/04/311355904.db2.gz	GTYSTMLIKDRLNZ-YLJYHZDGSA-N	1	3	331.504	2.339	10	70		EEIEHO
CCN1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1	ZINC000160588301	311355908	/nfs/dbraw/zinc/35/59/08/311355908.db2.gz	GTYSTMLIKDRLNZ-YLJYHZDGSA-N	1	3	331.504	2.339	10	70		EEIEHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485764	311342111	/nfs/dbraw/zinc/34/21/11/311342111.db2.gz	BOIXCAJUIQZTHA-PKOBYXMFSA-N	1	3	345.535	2.043	10	70		EEIEHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cn2)CC1	ZINC000159485764	311342112	/nfs/dbraw/zinc/34/21/12/311342112.db2.gz	BOIXCAJUIQZTHA-PKOBYXMFSA-N	1	3	345.535	2.043	10	70		EEIEHO
CCN1CCN(c2ccc(C[NH2+][C@@H]3CCN(CC)C[C@@H]3C)cn2)CC1	ZINC000159485764	311342113	/nfs/dbraw/zinc/34/21/13/311342113.db2.gz	BOIXCAJUIQZTHA-PKOBYXMFSA-N	1	3	345.535	2.043	10	70		EEIEHO
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1	ZINC000160675547	463361688	/nfs/dbraw/zinc/36/16/88/463361688.db2.gz	CPBAURLXXLYRBB-ROUUACIJSA-N	1	3	334.508	2.131	10	70		EEIEHO
CC[NH+](CC)CCOc1ccccc1CNC1CCN(C(N)=O)CC1	ZINC000160286414	528154810	/nfs/dbraw/zinc/15/48/10/528154810.db2.gz	QMPYYLIAUSTNIX-UHFFFAOYSA-N	1	3	348.491	2.040	10	70		EEIEHO
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000160675217	463361083	/nfs/dbraw/zinc/36/10/83/463361083.db2.gz	CPBAURLXXLYRBB-QZTJIDSGSA-N	1	3	334.508	2.131	10	70		EEIEHO
CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2)[C@H](C)C1	ZINC000161468065	463432129	/nfs/dbraw/zinc/43/21/29/463432129.db2.gz	JEILURRRXJVMAL-HOJAQTOUSA-N	1	3	334.504	2.489	10	70		EEIEHO
CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2)[C@H](C)C1	ZINC000161468065	463432134	/nfs/dbraw/zinc/43/21/34/463432134.db2.gz	JEILURRRXJVMAL-HOJAQTOUSA-N	1	3	334.504	2.489	10	70		EEIEHO
CN(CCN1CCC([N@H+](C)CCCO)CC1)Cc1ccc(F)cc1	ZINC000159706811	463300459	/nfs/dbraw/zinc/30/04/59/463300459.db2.gz	QDKAHLZWRGMTNK-UHFFFAOYSA-N	1	3	337.483	2.036	10	70		EEIEHO
CN(CCN1CCC([N@@H+](C)CCCO)CC1)Cc1ccc(F)cc1	ZINC000159706811	463300460	/nfs/dbraw/zinc/30/04/60/463300460.db2.gz	QDKAHLZWRGMTNK-UHFFFAOYSA-N	1	3	337.483	2.036	10	70		EEIEHO
CCOCCC[N@@H+]1CC[C@@H](NC[C@@H](CO)c2ccccc2)[C@H](C)C1	ZINC000161468164	463431978	/nfs/dbraw/zinc/43/19/78/463431978.db2.gz	JEILURRRXJVMAL-YZGWKJHDSA-N	1	3	334.504	2.489	10	70		EEIEHO
CCOCCC[N@H+]1CC[C@@H](NC[C@@H](CO)c2ccccc2)[C@H](C)C1	ZINC000161468164	463431979	/nfs/dbraw/zinc/43/19/79/463431979.db2.gz	JEILURRRXJVMAL-YZGWKJHDSA-N	1	3	334.504	2.489	10	70		EEIEHO
C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(OCCN(C)C)c1	ZINC000159500072	206248072	/nfs/dbraw/zinc/24/80/72/206248072.db2.gz	LTCVTCLAHWOUFO-MRXNPFEDSA-N	1	3	333.476	2.290	10	70		EEIEHO
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1	ZINC000160675443	463360937	/nfs/dbraw/zinc/36/09/37/463360937.db2.gz	CPBAURLXXLYRBB-ZWKOTPCHSA-N	1	3	334.508	2.131	10	70		EEIEHO
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCC[NH+](C)C	ZINC000159949048	311348422	/nfs/dbraw/zinc/34/84/22/311348422.db2.gz	UQPLWDVLEFDOAK-WMZOPIPTSA-N	1	3	332.492	2.100	10	70		EEIEHO
CCC[NH+]1CCC(NCc2ccc(N3CCN(CC)CC3)nc2)CC1	ZINC000159460581	539515998	/nfs/dbraw/zinc/51/59/98/539515998.db2.gz	VELUWIAQRPKDTD-UHFFFAOYSA-N	1	3	345.535	2.188	10	70		EEIEHO
CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)[NH+](C)C	ZINC000160373134	463332145	/nfs/dbraw/zinc/33/21/45/463332145.db2.gz	TXJUCFVOKNXBNW-RYQLBKOJSA-N	1	3	332.492	2.139	10	70		EEIEHO
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCC[NH+](C)C	ZINC000159948933	311348407	/nfs/dbraw/zinc/34/84/07/311348407.db2.gz	UQPLWDVLEFDOAK-AEFFLSMTSA-N	1	3	332.492	2.100	10	70		EEIEHO