smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCCSc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2SCCC[NH+](C)C)=C(Cl)C1=O	ZINC000104354795	571379448	/nfs/dbraw/zinc/37/94/48/571379448.db2.gz	APNBWCRIWGVOGO-UHFFFAOYSA-N	1	3	593.646	6.351	40	30		KKEBHO
CCN(CC)/C(=N\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/[NH+]=C(/c4ccccc4)N(CC)CC)cc3)cc2)cc1)c1ccccc1	ZINC000150486998	571516479	/nfs/dbraw/zinc/51/64/79/571516479.db2.gz	FLWHXPBZDCWMMQ-XRXZHQAKSA-N	1	3	664.854	9.031	40	30		KKEBHO
COc1ccc(C(NCCCCCCOP(OCCC#N)[NH+](C(C)C)C(C)C)(c2ccc(OC)cc2)c2ccc([S@@](C)=O)cc2)cc1	ZINC000168915606	571552926	/nfs/dbraw/zinc/55/29/26/571552926.db2.gz	AEUCXPPPONCIRE-BRQCZXMFSA-N	1	3	681.880	8.176	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1[N+](=O)[O-]	ZINC000035164552	554038066	/nfs/dbraw/zinc/03/80/66/554038066.db2.gz	RCJZUEBTQCKRAN-RUZDIDTESA-N	1	3	528.049	6.119	40	30		KKEBHO
O=C(Nc1ccc(/N=C(/NC2CCCCC2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(/N=C(/NC3CCCCC3)c3ccccc3)cc2)cc1	ZINC000150486958	571516462	/nfs/dbraw/zinc/51/64/62/571516462.db2.gz	ICYVQFHKMAHNTK-UHFFFAOYSA-N	1	3	716.930	10.192	40	30		KKEBHO
O=C(Nc1ccc(/N=C(/NC2CCCCC2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(/[NH+]=C(/NC3CCCCC3)c3ccccc3)cc2)cc1	ZINC000150486958	571516464	/nfs/dbraw/zinc/51/64/64/571516464.db2.gz	ICYVQFHKMAHNTK-UHFFFAOYSA-N	1	3	716.930	10.192	40	30		KKEBHO
CCCCCCCn1ccnc1NCCCCCCCCCCNc1[nH+]ccn1CCCCCCC	ZINC000104272111	571378228	/nfs/dbraw/zinc/37/82/28/571378228.db2.gz	LUXCEXHTJJVUQA-UHFFFAOYSA-N	1	3	500.820	8.665	40	30		KKEBHO
CCN(CC)/C(=N/c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/[NH+]=C(\c4ccccc4)N(CC)CC)cc3)cc2)cc1)c1ccccc1	ZINC000150486994	571516485	/nfs/dbraw/zinc/51/64/85/571516485.db2.gz	FLWHXPBZDCWMMQ-UUHCYPSGSA-N	1	3	664.854	9.031	40	30		KKEBHO
O=C(Nc1ccc(/N=C(/c2ccccc2)N2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(/[NH+]=C(/c3ccccc3)N3CCOCC3)cc2)cc1	ZINC000150487268	1071327469	/nfs/dbraw/zinc/32/74/69/1071327469.db2.gz	NZPOFNQYHOIDIU-XRXZHQAKSA-N	1	3	692.820	7.012	40	30		KKEBHO
CC(=NC1CCCCC1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(C)=[NH+]C4CCCCC4)cc3)cc2)cc1	ZINC000008622568	553103343	/nfs/dbraw/zinc/10/33/43/553103343.db2.gz	UWRIROXUNAQDBB-UHFFFAOYSA-N	1	3	592.788	8.136	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)C1c1ccccc1[N+](=O)[O-]	ZINC000059091087	554374909	/nfs/dbraw/zinc/37/49/09/554374909.db2.gz	FZRXSAFXRQYUEN-VWLOTQADSA-N	1	3	538.601	5.374	40	30		KKEBHO
COc1ccc(C(NCCCCCCOP(OCCC#N)[NH+](C(C)C)C(C)C)(c2ccc(OC)cc2)c2ccc([S@](C)=O)cc2)cc1	ZINC000168915708	571552948	/nfs/dbraw/zinc/55/29/48/571552948.db2.gz	AEUCXPPPONCIRE-PRCKHXDNSA-N	1	3	681.880	8.176	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-]	ZINC000035164588	554038110	/nfs/dbraw/zinc/03/81/10/554038110.db2.gz	UBGMWXBVNVOUGI-AREMUKBSSA-N	1	3	523.630	5.474	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)C1c1ccccc1[N+](=O)[O-]	ZINC000059091083	554374884	/nfs/dbraw/zinc/37/48/84/554374884.db2.gz	FZRXSAFXRQYUEN-RUZDIDTESA-N	1	3	538.601	5.374	40	30		KKEBHO
CC(=NCc1ccccc1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(C)=[NH+]Cc4ccccc4)cc3)cc2)cc1	ZINC000004801943	552486802	/nfs/dbraw/zinc/48/68/02/552486802.db2.gz	DADVVIPXPWDWHX-UHFFFAOYSA-N	1	3	608.746	7.871	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-]	ZINC000035164590	554038101	/nfs/dbraw/zinc/03/81/01/554038101.db2.gz	UBGMWXBVNVOUGI-SANMLTNESA-N	1	3	523.630	5.474	40	30		KKEBHO
C(=N/CCCCCC/[NH+]=C/c1ccc(OCc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1	ZINC000017819991	553599927	/nfs/dbraw/zinc/59/99/27/553599927.db2.gz	LGPAXLCSXJNFEC-DKKRNIPZSA-N	1	3	504.674	7.943	40	30		KKEBHO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1[N+](=O)[O-]	ZINC000035164554	554038018	/nfs/dbraw/zinc/03/80/18/554038018.db2.gz	RCJZUEBTQCKRAN-VWLOTQADSA-N	1	3	528.049	6.119	40	30		KKEBHO
c1ccc(C(/C(=N/c2ccc(Cc3ccc(/[NH+]=C(/C(c4ccccc4)c4ccccc4)N4CC4)cc3)cc2)N2CC2)c2ccccc2)cc1	ZINC000004537191	552464407	/nfs/dbraw/zinc/46/44/07/552464407.db2.gz	ZMQAGNTVNFAVCU-JWWXKWLGSA-N	1	3	636.843	9.633	40	30		KKEBHO
c1ccc(C(/C(=N\c2ccc(Cc3ccc(/[NH+]=C(\C(c4ccccc4)c4ccccc4)N4CC4)cc3)cc2)N2CC2)c2ccccc2)cc1	ZINC000104337285	571379376	/nfs/dbraw/zinc/37/93/76/571379376.db2.gz	ZMQAGNTVNFAVCU-NFAUJPPVSA-N	1	3	636.843	9.633	40	30		KKEBHO
C=CCC(Cc1ccccc1)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001871233	551719732	/nfs/dbraw/zinc/71/97/32/551719732.db2.gz	CCSSKNAUFSIMLQ-UHFFFAOYSA-N	1	3	544.659	5.947	40	30		KKEBHO
CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N1CCCCC1	ZINC000118914303	571443813	/nfs/dbraw/zinc/44/38/13/571443813.db2.gz	BANAKMCCUGWTBY-MALYJANWSA-N	1	3	513.787	5.603	40	30	in-vitro	KKEBHO
CCOC(=O)c1c(/N=C/c2ccc(/C=N/c3sc4c(c3C(=O)OCC)CC(C)(C)[NH2+]C4(C)C)cc2)sc2c1CC(C)(C)NC2(C)C	ZINC000150480533	571512152	/nfs/dbraw/zinc/51/21/52/571512152.db2.gz	BKMSMNARIIBDNZ-RIOOQTRLSA-N	1	3	662.922	7.983	40	30		KKEBHO
O=C(Nc1ccc(/N=C(\c2ccccc2)N2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(/[NH+]=C(\c3ccccc3)N3CCOCC3)cc2)cc1	ZINC000150487257	571516759	/nfs/dbraw/zinc/51/67/59/571516759.db2.gz	NZPOFNQYHOIDIU-UUHCYPSGSA-N	1	3	692.820	7.012	40	30		KKEBHO