smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCNC(=[NH2+])NC(=[NH2+])Nc1ccccc1	ZINC000059095927	345206712	/nfs/dbraw/zinc/20/67/12/345206712.db2.gz	UEPNHMZSACJKSD-UHFFFAOYSA-N	2	0	289.427	3.107	10	30		CGEERP
C=CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12	ZINC000309824716	618966960	/nfs/dbraw/zinc/96/69/60/618966960.db2.gz	AYMVMFPQKVZCPI-FGTMMUONSA-N	2	0	270.420	3.063	10	30		CGEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000665230267	419085617	/nfs/dbraw/zinc/08/56/17/419085617.db2.gz	LVNUEPZRNPVDQE-FZKCQIBNSA-N	2	0	250.430	3.099	10	30		CGEERP
CCc1nccn1[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1	ZINC000174851135	329163940	/nfs/dbraw/zinc/16/39/40/329163940.db2.gz	OJPXKWOBWZHTGZ-HNNXBMFYSA-N	2	0	288.439	3.412	10	30		CGEERP
C[NH+](C)CCC(C#N)(CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000059106363	369578403	/nfs/dbraw/zinc/57/84/03/369578403.db2.gz	WHQXETBOFLTSJG-UHFFFAOYSA-N	2	0	293.842	3.005	10	30	in-vitro	CGEERP
CCCCCCC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000182903242	329245924	/nfs/dbraw/zinc/24/59/24/329245924.db2.gz	GSHBNOBIGQTHKS-SFHVURJKSA-N	2	0	295.515	3.059	10	30		CGEERP
C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000390870016	542612294	/nfs/dbraw/zinc/61/22/94/542612294.db2.gz	JBQWBEHTLCEETF-AYHJJNSGSA-N	2	0	270.420	3.348	10	30		CGEERP
CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000171613275	372796050	/nfs/dbraw/zinc/79/60/50/372796050.db2.gz	LRHWHNKAPZGEAP-QGZVFWFLSA-N	2	0	294.402	3.154	10	30		CGEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000665230269	419085676	/nfs/dbraw/zinc/08/56/76/419085676.db2.gz	LVNUEPZRNPVDQE-WCVJEAGWSA-N	2	0	250.430	3.099	10	30		CGEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000665230268	419085772	/nfs/dbraw/zinc/08/57/72/419085772.db2.gz	LVNUEPZRNPVDQE-JJXSEGSLSA-N	2	0	250.430	3.099	10	30		CGEERP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013454249	368653515	/nfs/dbraw/zinc/65/35/15/368653515.db2.gz	HOFFNRHAINUGIB-JENIJYKNSA-N	2	0	286.463	3.494	10	30		CGEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000665230266	419085563	/nfs/dbraw/zinc/08/55/63/419085563.db2.gz	LVNUEPZRNPVDQE-FPCVCCKLSA-N	2	0	250.430	3.099	10	30		CGEERP
CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000171613284	372796177	/nfs/dbraw/zinc/79/61/77/372796177.db2.gz	LRHWHNKAPZGEAP-KRWDZBQOSA-N	2	0	294.402	3.154	10	30		CGEERP
C=CC[NH+](CC=C)Cc1ccccc1C[NH2+]C(C)C	ZINC000052376728	518771667	/nfs/dbraw/zinc/77/16/67/518771667.db2.gz	MNNOCBOTDOYCKM-UHFFFAOYSA-N	2	0	258.409	3.359	10	30		CGEERP
CCC1(C)CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1	ZINC000062955503	623283844	/nfs/dbraw/zinc/28/38/44/623283844.db2.gz	KCXNMTBBLGJOLP-UHFFFAOYSA-N	2	0	276.449	3.070	10	30		CGEERP
CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC000043328168	175010061	/nfs/dbraw/zinc/01/00/61/175010061.db2.gz	RXXHEJUZBXBJKV-INIZCTEOSA-N	2	0	299.503	3.090	10	30		CGEERP
C[NH+](CCC#N)CCCCCCCC[N@@H+](C)CCC#N	ZINC000584644206	346703313	/nfs/dbraw/zinc/70/33/13/346703313.db2.gz	QSHZUJATNZBRDL-UHFFFAOYSA-N	2	0	278.444	3.018	10	30		CGEERP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013454245	368653378	/nfs/dbraw/zinc/65/33/78/368653378.db2.gz	HOFFNRHAINUGIB-YQVWRLOYSA-N	2	0	286.463	3.494	10	30		CGEERP
C=CC[NH+](CC=C)Cc1ccc(C[NH2+]C(C)C)cc1	ZINC000052376653	518771415	/nfs/dbraw/zinc/77/14/15/518771415.db2.gz	KVLRJTIYUZIWCE-UHFFFAOYSA-N	2	0	258.409	3.359	10	30		CGEERP
C=CCOc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1	ZINC000105455109	261359009	/nfs/dbraw/zinc/35/90/09/261359009.db2.gz	TXKNIBVLSYVDMV-UHFFFAOYSA-N	2	0	288.435	3.073	10	30		CGEERP
CCCCCCC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1	ZINC000182903263	329245959	/nfs/dbraw/zinc/24/59/59/329245959.db2.gz	GSHBNOBIGQTHKS-GOSISDBHSA-N	2	0	295.515	3.059	10	30		CGEERP
C=CCOc1ccccc1C[NH2+]CCC1CC[NH+](C)CC1	ZINC000105455025	261359450	/nfs/dbraw/zinc/35/94/50/261359450.db2.gz	MKTIHVUMXXZPMS-UHFFFAOYSA-N	2	0	288.435	3.073	10	30		CGEERP
C=C(C)C[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)c(C)o1	ZINC000052423313	518600209	/nfs/dbraw/zinc/60/02/09/518600209.db2.gz	DARRAOVYADXXDU-UHFFFAOYSA-N	2	0	264.413	3.484	10	30		CGEERP
Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cccc(C#N)c1	ZINC000248942319	377432311	/nfs/dbraw/zinc/43/23/11/377432311.db2.gz	OFOIFPGGWVAUCC-KDOFPFPSSA-N	2	0	294.402	3.289	10	30		CGEERP
[NH3+]CCCCCCCCCCCC[NH2+]CCS	ZINC000584601664	346689698	/nfs/dbraw/zinc/68/96/98/346689698.db2.gz	KLORACSHDYIEDH-UHFFFAOYSA-N	2	0	260.491	3.366	10	30		CGEERP
CCCCCCCCCCCCNC(=O)[C@H]([NH3+])CCC[NH3+]	ZINC000043328167	175009933	/nfs/dbraw/zinc/00/99/33/175009933.db2.gz	RXXHEJUZBXBJKV-MRXNPFEDSA-N	2	0	299.503	3.090	10	30		CGEERP
Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cccc(C#N)c1	ZINC000248942324	377432791	/nfs/dbraw/zinc/43/27/91/377432791.db2.gz	OFOIFPGGWVAUCC-RDTXWAMCSA-N	2	0	294.402	3.289	10	30		CGEERP
CCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000174545057	329159954	/nfs/dbraw/zinc/15/99/54/329159954.db2.gz	PNYMAMIIXSZSCX-GOSISDBHSA-N	2	0	295.515	3.059	10	30		CGEERP
CCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000174545041	329159932	/nfs/dbraw/zinc/15/99/32/329159932.db2.gz	PNYMAMIIXSZSCX-SFHVURJKSA-N	2	0	295.515	3.059	10	30		CGEERP
N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000346831847	335371062	/nfs/dbraw/zinc/37/10/62/335371062.db2.gz	MAOGFNUFIMJOKM-AYHJJNSGSA-N	2	0	283.419	3.075	10	30		CGEERP
C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000192910214	526715366	/nfs/dbraw/zinc/71/53/66/526715366.db2.gz	ALTDIPCUSNCUAG-YQQQUEKLSA-N	2	0	282.431	3.185	10	30		CGEERP
CCc1nccn1[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1	ZINC000174851128	329164049	/nfs/dbraw/zinc/16/40/49/329164049.db2.gz	OJPXKWOBWZHTGZ-OAHLLOKOSA-N	2	0	288.439	3.412	10	30		CGEERP