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	518257422	/nfs/dbraw/zinc/25/74/22/518257422.db2.gz	QMSHCVYVXFNLPC-XMMPIXPASA-N	2	0	390.527	3.106	50	30		GGEARP
C#CC[N@@H+](CC=C)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1	ZINC000012703577	518257575	/nfs/dbraw/zinc/25/75/75/518257575.db2.gz	QMSHCVYVXFNLPC-DEOSSOPVSA-N	2	0	390.527	3.106	50	30		GGEARP
C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(C#N)CC2)c1)C1CCCCC1	ZINC000095503336	523023221	/nfs/dbraw/zinc/02/32/21/523023221.db2.gz	XZXSLXHVNIZLBP-JOCHJYFZSA-N	2	0	385.552	3.426	50	30		GGEARP
C=CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012300584	570236399	/nfs/dbraw/zinc/23/63/99/570236399.db2.gz	DXQIYTNAPIDGBW-LJQANCHMSA-N	2	0	375.532	3.394	50	30		GGEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708804	570411181	/nfs/dbraw/zinc/41/11/81/570411181.db2.gz	PDGYZKYRJXXRLB-HXUWFJFHSA-N	2	0	376.541	3.319	50	30		GGEARP
C[N@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(C#N)CC1)C1CCCCC1	ZINC000095518462	571085723	/nfs/dbraw/zinc/08/57/23/571085723.db2.gz	WBWPETZOASWXHD-JOCHJYFZSA-N	2	0	385.552	3.426	50	30		GGEARP
C#Cc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1	ZINC000015075099	1399136740	/nfs/dbraw/zinc/13/67/40/1399136740.db2.gz	YSQDLNLSSZAPHX-UHFFFAOYSA-N	2	0	377.532	3.424	50	30		GGEARP
C[N@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(C#N)CC1)C1CCCCC1	ZINC000095518461	571085684	/nfs/dbraw/zinc/08/56/84/571085684.db2.gz	WBWPETZOASWXHD-QFIPXVFZSA-N	2	0	385.552	3.426	50	30		GGEARP
C=CC[NH+](CC=C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000012094115	1399027993	/nfs/dbraw/zinc/02/79/93/1399027993.db2.gz	SLFUWYYKQVCIRE-NRFANRHFSA-N	2	0	388.552	3.485	50	30		GGEARP
C=CC[NH+](CC=C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000012094119	1399028260	/nfs/dbraw/zinc/02/82/60/1399028260.db2.gz	SLFUWYYKQVCIRE-OAQYLSRUSA-N	2	0	388.552	3.485	50	30		GGEARP
CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(C#N)cc1)C[C@H]2CO	ZINC000097529011	211367073	/nfs/dbraw/zinc/36/70/73/211367073.db2.gz	WKLUNOYUCXNQIJ-NRFANRHFSA-N	2	0	387.593	3.208	50	30		GGEARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000095518025	211265397	/nfs/dbraw/zinc/26/53/97/211265397.db2.gz	HRGUGMWNSGROOP-JOCHJYFZSA-N	2	0	382.552	3.151	50	30		GGEARP
C=CCN(CC=C)C(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1	ZINC000011662078	570233675	/nfs/dbraw/zinc/23/36/75/570233675.db2.gz	KXPVAXQLOKPVMC-UHFFFAOYSA-N	2	0	397.563	3.438	50	30		GGEARP
C=C(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757774	570238385	/nfs/dbraw/zinc/23/83/85/570238385.db2.gz	FUUSDCZMZHHULA-OAQYLSRUSA-N	2	0	381.564	3.023	50	30		GGEARP
CC[NH+](CC)CCn1c(N)[n+](CC(=O)c2ccc(Cl)cc2)c2ccccc21	ZINC000003121440	570329327	/nfs/dbraw/zinc/32/93/27/570329327.db2.gz	YWKADPYISCVQMQ-UHFFFAOYSA-O	2	0	385.919	3.389	50	30		GGEARP
C=CCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012718606	212098576	/nfs/dbraw/zinc/09/85/76/212098576.db2.gz	ROTUMJKPGFWKHW-UHFFFAOYSA-N	2	0	383.580	3.222	50	30		GGEARP
C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(C#N)CC2)c1)C1CCCCC1	ZINC000095503335	523098972	/nfs/dbraw/zinc/09/89/72/523098972.db2.gz	XZXSLXHVNIZLBP-QFIPXVFZSA-N	2	0	385.552	3.426	50	30		GGEARP
CC#CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000012429430	570236997	/nfs/dbraw/zinc/23/69/97/570236997.db2.gz	MFQZUGDSQXJFIV-HXUWFJFHSA-N	2	0	385.552	3.216	50	30		GGEARP
CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]2CO	ZINC000097529010	570544604	/nfs/dbraw/zinc/54/46/04/570544604.db2.gz	WKLUNOYUCXNQIJ-OAQYLSRUSA-N	2	0	387.593	3.208	50	30		GGEARP
C=CCN(C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21	ZINC000071751553	518742441	/nfs/dbraw/zinc/74/24/41/518742441.db2.gz	OWDVRXFLMCIZGP-UHFFFAOYSA-N	2	0	395.551	3.043	50	30		GGEARP
C=C(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012757777	570238718	/nfs/dbraw/zinc/23/87/18/570238718.db2.gz	FUUSDCZMZHHULA-NRFANRHFSA-N	2	0	381.564	3.023	50	30		GGEARP
N#Cc1cccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@H](CO)C2)c1	ZINC000097694833	570559325	/nfs/dbraw/zinc/55/93/25/570559325.db2.gz	LYRKWIXKNPCYGK-QHCPKHFHSA-N	2	0	390.531	3.050	50	30		GGEARP
C=CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012300586	221178175	/nfs/dbraw/zinc/17/81/75/221178175.db2.gz	DXQIYTNAPIDGBW-IBGZPJMESA-N	2	0	375.532	3.394	50	30		GGEARP
C=C(C)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000015073310	570246762	/nfs/dbraw/zinc/24/67/62/570246762.db2.gz	RQDTYJGNVCUSND-UHFFFAOYSA-N	2	0	383.580	3.488	50	30		GGEARP
C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCC(C#N)CC2)cc1	ZINC000095527689	571091409	/nfs/dbraw/zinc/09/14/09/571091409.db2.gz	ORNSRORDRHZYJZ-HSZRJFAPSA-N	2	0	393.531	3.294	50	30		GGEARP
C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCC(C#N)CC2)cc1	ZINC000095527688	571091515	/nfs/dbraw/zinc/09/15/15/571091515.db2.gz	ORNSRORDRHZYJZ-QHCPKHFHSA-N	2	0	393.531	3.294	50	30		GGEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011708816	570410919	/nfs/dbraw/zinc/41/09/19/570410919.db2.gz	PDGYZKYRJXXRLB-FQEVSTJZSA-N	2	0	376.541	3.319	50	30		GGEARP
C#Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1	ZINC000011950200	1399020353	/nfs/dbraw/zinc/02/03/53/1399020353.db2.gz	YKCMEPXOLKIAAA-OAQYLSRUSA-N	2	0	381.564	3.213	50	30		GGEARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000095518026	222345063	/nfs/dbraw/zinc/34/50/63/222345063.db2.gz	HRGUGMWNSGROOP-QFIPXVFZSA-N	2	0	382.552	3.151	50	30		GGEARP
CN(C)c1ccc(/C=[NH+]/N(C)CCN(C)/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000002898510	522132032	/nfs/dbraw/zinc/13/20/32/522132032.db2.gz	AXMSBPGDLMGFGN-GJHDBBOXSA-N	2	0	380.540	3.050	50	30		GGEARP
CC#CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000012429431	570237092	/nfs/dbraw/zinc/23/70/92/570237092.db2.gz	MFQZUGDSQXJFIV-FQEVSTJZSA-N	2	0	385.552	3.216	50	30		GGEARP
CN(C)c1ccc(C=[NH+]N(C)CCN(C)[NH+]=Cc2ccc(N(C)C)cc2)cc1	ZINC000254794081	570294928	/nfs/dbraw/zinc/29/49/28/570294928.db2.gz	AXMSBPGDLMGFGN-UHFFFAOYSA-N	2	0	380.540	3.050	50	30		GGEARP
N#Cc1cccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@@H](CO)C2)c1	ZINC000097694834	570559257	/nfs/dbraw/zinc/55/92/57/570559257.db2.gz	LYRKWIXKNPCYGK-HSZRJFAPSA-N	2	0	390.531	3.050	50	30		GGEARP
C#Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1	ZINC000011950194	1399020457	/nfs/dbraw/zinc/02/04/57/1399020457.db2.gz	YKCMEPXOLKIAAA-NRFANRHFSA-N	2	0	381.564	3.213	50	30		GGEARP