smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC)[NH2+]C[C@@H]([NH3+])CS	ZINC000022450218	561759272	/nfs/dbraw/zinc/75/92/72/561759272.db2.gz	XDPAYLCHZOZGMW-NDYOWHOSSA-N	2	1	531.741	0.968	1	30		KCEFMP
CC[N@@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(C)[C@@H](O3)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])CC[C@@]12O	ZINC000026181268	561771721	/nfs/dbraw/zinc/77/17/21/561771721.db2.gz	DFXJFEUQSOCOQS-NOJWZRIWSA-N	3	1	514.671	0.458	1	30		KCEFMP
CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC)[NH2+]C[C@@H]([NH3+])CS	ZINC000026749962	561819485	/nfs/dbraw/zinc/81/94/85/561819485.db2.gz	XDPAYLCHZOZGMW-VOFPXKNKSA-N	2	1	531.741	0.968	1	30		KCEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4cccnc4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000027084775	561835929	/nfs/dbraw/zinc/83/59/29/561835929.db2.gz	KMSBKXLNXAKEFS-BUAQGSAMSA-N	2	1	680.770	0.785	1	30		KCEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4ccccc4n3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000027091263	561837281	/nfs/dbraw/zinc/83/72/81/561837281.db2.gz	XNXQKYFNDLWMHH-JDBUMTGOSA-N	2	1	680.770	0.785	1	30		KCEFMP
Cc1nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc3ccc(N)cc3)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO4)cc2nc1C	ZINC000027092058	561837416	/nfs/dbraw/zinc/83/74/16/561837416.db2.gz	AAKXQHAFBCEJJN-NSROOHRNSA-N	2	1	709.812	0.797	1	30		KCEFMP
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](CCC[NH3+])C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC(=O)C=Cc1ccccc1	ZINC000027554532	561869081	/nfs/dbraw/zinc/86/90/81/561869081.db2.gz	XBAZNCPTDJBNNZ-NIZVRZHESA-N	2	1	695.841	0.345	1	30		KCEFMP
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O	ZINC000027650717	561876587	/nfs/dbraw/zinc/87/65/87/561876587.db2.gz	RERCBFQKZPDEAT-YGXYGYJOSA-N	2	1	722.851	0.603	1	30		KCEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028477770	561928688	/nfs/dbraw/zinc/92/86/88/561928688.db2.gz	GNPMQYLYNZDELX-MUFAAYGBSA-N	2	1	693.813	0.393	1	30		KCEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)C[n+]1ccccc1	ZINC000029409525	562021484	/nfs/dbraw/zinc/02/14/84/562021484.db2.gz	OPAFSAIGUGANFR-FSSWDIPSSA-O	2	1	500.668	0.370	1	30		KCEFMP
CCCCCCCCCCCC[N@@H+](C)C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000036352016	562059478	/nfs/dbraw/zinc/05/94/78/562059478.db2.gz	NWLXVXHTKDOVCV-RUIBFPTKSA-N	2	1	570.728	0.828	1	30		KCEFMP
CC[N@@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(C)[C@@H](O3)[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])CC[C@@]12O	ZINC000040676815	562078980	/nfs/dbraw/zinc/07/89/80/562078980.db2.gz	DFXJFEUQSOCOQS-VLRVVWKISA-N	3	1	514.671	0.458	1	30		KCEFMP
CC[N@@H+](CCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1ccc(O)cc1)CCc1ccc([N+](=O)[O-])cc1	ZINC000043322741	562647712	/nfs/dbraw/zinc/64/77/12/562647712.db2.gz	VPRABELZONDESC-BJKOFHAPSA-N	2	1	556.668	0.389	1	30		KCEFMP
CC[N@H+](CCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1ccc(O)cc1)CCc1ccc([N+](=O)[O-])cc1	ZINC000043322741	562647711	/nfs/dbraw/zinc/64/77/11/562647711.db2.gz	VPRABELZONDESC-BJKOFHAPSA-N	2	1	556.668	0.389	1	30		KCEFMP
CC[N@@H+](CCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCc1ccc([N+](=O)[O-])cc1	ZINC000043322741	562647710	/nfs/dbraw/zinc/64/77/10/562647710.db2.gz	VPRABELZONDESC-BJKOFHAPSA-N	3	1	556.668	0.389	1	30		KCEFMP
NC(=[NH2+])NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1	ZINC000049938233	562695150	/nfs/dbraw/zinc/69/51/50/562695150.db2.gz	DNDWQJKQEQLRTQ-GOGZTAQTSA-N	2	1	639.761	0.736	1	30		KCEFMP
CC(=NNC(N)=[NH2+])c1cccc(OCC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(N)=[NH2+])c2)c1	ZINC000066258669	562715084	/nfs/dbraw/zinc/71/50/84/562715084.db2.gz	RENOTXJTGMEFRW-LKNSEYJMSA-N	2	1	521.590	0.325	1	30		KCEFMP
CC(=NNC(N)=[NH2+])c1ccc(OCC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(N)=[NH2+])c2)cc1	ZINC000066258859	562715094	/nfs/dbraw/zinc/71/50/94/562715094.db2.gz	NDCJYVPHWXEIAK-DMRJWZPESA-N	2	1	521.590	0.325	1	30		KCEFMP
NC(=[NH2+])N[C@@H]1CCOC[C@@H]2O[C@H](Oc3c(O)c4c(cc31)C(=O)c1ccccc1C4=O)[C@@H](OCCc1cc[nH+]c(N)c1)[C@H](O)[C@H]2O	ZINC000085593130	565149590	/nfs/dbraw/zinc/14/95/90/565149590.db2.gz	PAJXIKLNZZNAKY-NUZVVUDASA-N	2	1	619.631	0.333	1	30	biogenic,in-vitro	KCEFMP
NC(=[NH2+])NCCOCCOCC[NH2+][C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000141032120	562833470	/nfs/dbraw/zinc/83/34/70/562833470.db2.gz	CXHDNHRZMFBUJN-XGTKUTNFSA-N	3	1	515.655	0.221	1	30		KCEFMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1	ZINC000169725083	562871353	/nfs/dbraw/zinc/87/13/53/562871353.db2.gz	DNICZPICBHCWNG-PUHATCMVSA-N	2	1	633.801	0.226	1	30		KCEFMP