smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@H+](CC=C)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1	ZINC000012703572	518257439	/nfs/dbraw/zinc/25/74/39/518257439.db2.gz	QMSHCVYVXFNLPC-XMMPIXPASA-N	2	1	390.527	3.106	50	30		GGEAMP
C#CC[NH+](CC=C)Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000012703572	518257445	/nfs/dbraw/zinc/25/74/45/518257445.db2.gz	QMSHCVYVXFNLPC-XMMPIXPASA-N	2	1	390.527	3.106	50	30		GGEAMP
C#CC[NH+](CC=C)Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000012703572	518257450	/nfs/dbraw/zinc/25/74/50/518257450.db2.gz	QMSHCVYVXFNLPC-XMMPIXPASA-N	2	1	390.527	3.106	50	30		GGEAMP
C#CC[N@H+](CC=C)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1	ZINC000012703577	518257580	/nfs/dbraw/zinc/25/75/80/518257580.db2.gz	QMSHCVYVXFNLPC-DEOSSOPVSA-N	2	1	390.527	3.106	50	30		GGEAMP
C#CC[NH+](CC=C)Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000012703577	518257585	/nfs/dbraw/zinc/25/75/85/518257585.db2.gz	QMSHCVYVXFNLPC-DEOSSOPVSA-N	2	1	390.527	3.106	50	30		GGEAMP
C#CC[NH+](CC=C)Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000012703577	518257589	/nfs/dbraw/zinc/25/75/89/518257589.db2.gz	QMSHCVYVXFNLPC-DEOSSOPVSA-N	2	1	390.527	3.106	50	30		GGEAMP
C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(C#N)CC2)c1)C1CCCCC1	ZINC000095503336	523023241	/nfs/dbraw/zinc/02/32/41/523023241.db2.gz	XZXSLXHVNIZLBP-JOCHJYFZSA-N	2	1	385.552	3.426	50	30		GGEAMP
C=CCOc1ccccc1C[NH+]1CCC(CCC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000011933283	570234615	/nfs/dbraw/zinc/23/46/15/570234615.db2.gz	PIKPMBIJTVCBRT-UHFFFAOYSA-N	2	1	399.579	3.408	50	30		GGEAMP
C=CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000012300584	570236400	/nfs/dbraw/zinc/23/64/00/570236400.db2.gz	DXQIYTNAPIDGBW-LJQANCHMSA-N	2	1	375.532	3.394	50	30		GGEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708804	570411183	/nfs/dbraw/zinc/41/11/83/570411183.db2.gz	PDGYZKYRJXXRLB-HXUWFJFHSA-N	2	1	376.541	3.319	50	30		GGEAMP
C[N@@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(C#N)CC1)C1CCCCC1	ZINC000095518462	571085724	/nfs/dbraw/zinc/08/57/24/571085724.db2.gz	WBWPETZOASWXHD-JOCHJYFZSA-N	2	1	385.552	3.426	50	30		GGEAMP
C#Cc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1	ZINC000015075099	1399136744	/nfs/dbraw/zinc/13/67/44/1399136744.db2.gz	YSQDLNLSSZAPHX-UHFFFAOYSA-N	2	1	377.532	3.424	50	30		GGEAMP
COCC[N@@H+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000095505931	208208134	/nfs/dbraw/zinc/20/81/34/208208134.db2.gz	CCHUOAJFIBHHOX-IBGZPJMESA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[N@H+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000095505931	208208139	/nfs/dbraw/zinc/20/81/39/208208139.db2.gz	CCHUOAJFIBHHOX-IBGZPJMESA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[NH+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000095505931	208208143	/nfs/dbraw/zinc/20/81/43/208208143.db2.gz	CCHUOAJFIBHHOX-IBGZPJMESA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[NH+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000095505931	208208148	/nfs/dbraw/zinc/20/81/48/208208148.db2.gz	CCHUOAJFIBHHOX-IBGZPJMESA-N	2	1	392.547	3.214	50	30		GGEAMP
C[N@@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(C#N)CC1)C1CCCCC1	ZINC000095518461	571085686	/nfs/dbraw/zinc/08/56/86/571085686.db2.gz	WBWPETZOASWXHD-QFIPXVFZSA-N	2	1	385.552	3.426	50	30		GGEAMP
CSCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]2CO	ZINC000097529011	211367083	/nfs/dbraw/zinc/36/70/83/211367083.db2.gz	WKLUNOYUCXNQIJ-NRFANRHFSA-N	2	1	387.593	3.208	50	30		GGEAMP
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000095518025	211265403	/nfs/dbraw/zinc/26/54/03/211265403.db2.gz	HRGUGMWNSGROOP-JOCHJYFZSA-N	2	1	382.552	3.151	50	30		GGEAMP
COCC[N@@H+](Cc1c[nH]c(C#N)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000095505932	211256859	/nfs/dbraw/zinc/25/68/59/211256859.db2.gz	CCHUOAJFIBHHOX-LJQANCHMSA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[N@H+](Cc1c[nH]c(C#N)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000095505932	211256862	/nfs/dbraw/zinc/25/68/62/211256862.db2.gz	CCHUOAJFIBHHOX-LJQANCHMSA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[NH+](Cc1c[nH]c(C#N)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000095505932	211256865	/nfs/dbraw/zinc/25/68/65/211256865.db2.gz	CCHUOAJFIBHHOX-LJQANCHMSA-N	2	1	392.547	3.214	50	30		GGEAMP
COCC[NH+](Cc1c[nH]c(C#N)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000095505932	211256867	/nfs/dbraw/zinc/25/68/67/211256867.db2.gz	CCHUOAJFIBHHOX-LJQANCHMSA-N	2	1	392.547	3.214	50	30		GGEAMP
C=C(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757774	570238393	/nfs/dbraw/zinc/23/83/93/570238393.db2.gz	FUUSDCZMZHHULA-OAQYLSRUSA-N	2	1	381.564	3.023	50	30		GGEAMP
C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(C#N)CC2)c1)C1CCCCC1	ZINC000095503335	523098991	/nfs/dbraw/zinc/09/89/91/523098991.db2.gz	XZXSLXHVNIZLBP-QFIPXVFZSA-N	2	1	385.552	3.426	50	30		GGEAMP
C=CCCC(=O)N(Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1	ZINC000011938191	570234597	/nfs/dbraw/zinc/23/45/97/570234597.db2.gz	CZWBLWGOWISYRU-UHFFFAOYSA-N	2	1	384.568	3.183	50	30		GGEAMP
CC#CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000012429430	570237006	/nfs/dbraw/zinc/23/70/06/570237006.db2.gz	MFQZUGDSQXJFIV-HXUWFJFHSA-N	2	1	385.552	3.216	50	30		GGEAMP
CSCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]2CO	ZINC000097529010	570544607	/nfs/dbraw/zinc/54/46/07/570544607.db2.gz	WKLUNOYUCXNQIJ-OAQYLSRUSA-N	2	1	387.593	3.208	50	30		GGEAMP
C=CC[N@@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21	ZINC000071751553	518742456	/nfs/dbraw/zinc/74/24/56/518742456.db2.gz	OWDVRXFLMCIZGP-UHFFFAOYSA-N	2	1	395.551	3.043	50	30		GGEAMP
[NH2+]=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000004785040	526810899	/nfs/dbraw/zinc/81/08/99/526810899.db2.gz	JGYJJSUNHBUKKK-UHFFFAOYSA-N	2	1	382.420	3.058	50	30		GGEAMP
C=C(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757777	570238723	/nfs/dbraw/zinc/23/87/23/570238723.db2.gz	FUUSDCZMZHHULA-NRFANRHFSA-N	2	1	381.564	3.023	50	30		GGEAMP
N#Cc1cccc(C[N@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@H](CO)C2)c1	ZINC000097694833	570559330	/nfs/dbraw/zinc/55/93/30/570559330.db2.gz	LYRKWIXKNPCYGK-QHCPKHFHSA-N	2	1	390.531	3.050	50	30		GGEAMP
C=CCc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1O	ZINC000000814087	206248760	/nfs/dbraw/zinc/24/87/60/206248760.db2.gz	MPMCDQWHFDJOKI-UHFFFAOYSA-N	2	1	392.503	3.415	50	30		GGEAMP
C=CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000012300586	221178178	/nfs/dbraw/zinc/17/81/78/221178178.db2.gz	DXQIYTNAPIDGBW-IBGZPJMESA-N	2	1	375.532	3.394	50	30		GGEAMP
C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCC(C#N)CC2)cc1	ZINC000095527689	571091411	/nfs/dbraw/zinc/09/14/11/571091411.db2.gz	ORNSRORDRHZYJZ-HSZRJFAPSA-N	2	1	393.531	3.294	50	30		GGEAMP
C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCC(C#N)CC2)cc1	ZINC000095527688	571091518	/nfs/dbraw/zinc/09/15/18/571091518.db2.gz	ORNSRORDRHZYJZ-QHCPKHFHSA-N	2	1	393.531	3.294	50	30		GGEAMP
CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000096137828	211306578	/nfs/dbraw/zinc/30/65/78/211306578.db2.gz	XOCRVWDKILXSNE-UHFFFAOYSA-N	2	1	389.507	3.103	50	30		GGEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708816	570410924	/nfs/dbraw/zinc/41/09/24/570410924.db2.gz	PDGYZKYRJXXRLB-FQEVSTJZSA-N	2	1	376.541	3.319	50	30		GGEAMP
C#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1	ZINC000011950200	1399020359	/nfs/dbraw/zinc/02/03/59/1399020359.db2.gz	YKCMEPXOLKIAAA-OAQYLSRUSA-N	2	1	381.564	3.213	50	30		GGEAMP
CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000095518026	222345067	/nfs/dbraw/zinc/34/50/67/222345067.db2.gz	HRGUGMWNSGROOP-QFIPXVFZSA-N	2	1	382.552	3.151	50	30		GGEAMP
CC#CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000012429431	570237093	/nfs/dbraw/zinc/23/70/93/570237093.db2.gz	MFQZUGDSQXJFIV-FQEVSTJZSA-N	2	1	385.552	3.216	50	30		GGEAMP
N#Cc1cccc(C[N@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@@H](CO)C2)c1	ZINC000097694834	570559268	/nfs/dbraw/zinc/55/92/68/570559268.db2.gz	LYRKWIXKNPCYGK-HSZRJFAPSA-N	2	1	390.531	3.050	50	30		GGEAMP
C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1	ZINC000011950194	1399020461	/nfs/dbraw/zinc/02/04/61/1399020461.db2.gz	YKCMEPXOLKIAAA-NRFANRHFSA-N	2	1	381.564	3.213	50	30		GGEAMP