smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](Cc1ccc(OC(=O)C(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C	ZINC000013442615	562963671	/nfs/dbraw/zinc/96/36/71/562963671.db2.gz	SPEPBCZUCCQTTQ-BZSNNMDCSA-N	0	1	467.588	0.846	1	30		JCEFMN
COC(=O)[C@H](Cc1cccc(OC(=O)C(C)C)c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C	ZINC000013442627	562963647	/nfs/dbraw/zinc/96/36/47/562963647.db2.gz	QAJVJOAFKQJROM-BZSNNMDCSA-N	0	1	467.588	0.846	1	30		JCEFMN
COC(=O)[C@H](COC(=O)c1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C	ZINC000013442642	562963641	/nfs/dbraw/zinc/96/36/41/562963641.db2.gz	PDLAUHXPVAJBTM-KKUMJFAQSA-N	0	1	459.952	0.553	1	30		JCEFMN
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(C(=O)NCCc4cnc[nH]4)cc32)cc1	ZINC000013470461	562965297	/nfs/dbraw/zinc/96/52/97/562965297.db2.gz	CQSUILWVYSOEJC-UHFFFAOYSA-N	0	1	453.484	0.798	1	30	in-vitro	JCEFMN
CSCC[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)[O-]	ZINC000013762272	562990328	/nfs/dbraw/zinc/99/03/28/562990328.db2.gz	XSKSGFPDLKJTHQ-VJANTYMQSA-N	0	1	484.688	0.908	1	30		JCEFMN
COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH2+]C[C@@H](N)CS)C(C)(C)C)C(=O)[O-]	ZINC000026398500	563027493	/nfs/dbraw/zinc/02/74/93/563027493.db2.gz	FZJOMPQKENNHGD-YSTOQKLRSA-N	0	1	494.658	0.807	1	30		JCEFMN
CC[C@H]([NH2+]C[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000026466914	563027840	/nfs/dbraw/zinc/02/78/40/563027840.db2.gz	PMPOWTYDGGSMHD-HCXYKTFWSA-N	0	1	482.672	0.888	1	30		JCEFMN
COC(=O)N1c2c(cccc2OC)[C@@]23CCN4C[C@H]5O[C@H]5[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@@H]5O)[C@H]43	ZINC000026658821	563032586	/nfs/dbraw/zinc/03/25/86/563032586.db2.gz	YYNNLSNHGLNXCW-FLCSBQRESA-N	0	1	472.494	0.172	1	30		JCEFMN
COC(=O)N1c2c(cccc2OC)[C@@]23CCN4C[C@@H]5O[C@@H]5[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@@H]5O)[C@H]43	ZINC000029042164	563091850	/nfs/dbraw/zinc/09/18/50/563091850.db2.gz	YYNNLSNHGLNXCW-AAAXAGHWSA-N	0	1	472.494	0.172	1	30		JCEFMN
COC(=O)[C@H](COC(=O)/C=C/c1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C	ZINC000029346021	563101333	/nfs/dbraw/zinc/10/13/33/563101333.db2.gz	UQYFEEMLPQQIQF-YRNPXXISSA-N	0	1	451.545	0.299	1	30		JCEFMN
CSc1nc(N[C@@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(N=C(C)C(C)=O)c(=O)[nH]1	ZINC000031819155	563108521	/nfs/dbraw/zinc/10/85/21/563108521.db2.gz	BHIGAJQJWPZXJF-UVBBWNMZSA-N	0	1	498.514	0.737	1	30		JCEFMN
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH2+]C[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000034208499	563112506	/nfs/dbraw/zinc/11/25/06/563112506.db2.gz	VPRPSBDREGJEGM-QRJUGERDSA-N	0	1	450.671	0.711	1	30		JCEFMN
NC(=[NH2+])NCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C1CCCC1	ZINC000034633569	563114217	/nfs/dbraw/zinc/11/42/17/563114217.db2.gz	NIPSXNQXMGOLMF-GOSISDBHSA-N	0	1	468.599	0.692	1	30		JCEFMN
CN1C[C@H](CC(=O)N2CCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000040957254	563161148	/nfs/dbraw/zinc/16/11/48/563161148.db2.gz	HOYBUULCSXDSPC-VCOUNFBDSA-N	0	1	457.575	0.790	1	30		JCEFMN
CN1C[C@@H](CC(=O)N2CCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000040957257	563161137	/nfs/dbraw/zinc/16/11/37/563161137.db2.gz	HOYBUULCSXDSPC-CBQOVEMMSA-N	0	1	457.575	0.790	1	30		JCEFMN
CC(C)(C)C(=O)ON[C@@H](CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000049792728	563203877	/nfs/dbraw/zinc/20/38/77/563203877.db2.gz	IRPBILJMDZHAKG-BAHXQUAYSA-N	0	1	483.547	0.303	1	30		JCEFMN
CC(C)(C)C(=O)ON[C@H](CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000049792729	563203897	/nfs/dbraw/zinc/20/38/97/563203897.db2.gz	IRPBILJMDZHAKG-CVXDVXMKSA-N	0	1	483.547	0.303	1	30		JCEFMN
CC(C)(C)C(=O)ON[C@@H](CCSC[C@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000049792730	563203901	/nfs/dbraw/zinc/20/39/01/563203901.db2.gz	IRPBILJMDZHAKG-JQIDMEAISA-N	0	1	483.547	0.303	1	30		JCEFMN
CC(C)(C)C(=O)ON[C@H](CCSC[C@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000049792731	563203909	/nfs/dbraw/zinc/20/39/09/563203909.db2.gz	IRPBILJMDZHAKG-LYUDMSCLSA-N	0	1	483.547	0.303	1	30		JCEFMN
CCCCCCCCCCCCCCNC(=O)[C@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000049793947	563204010	/nfs/dbraw/zinc/20/40/10/563204010.db2.gz	HGKYGQHAQOYASO-PAPVWTPXSA-N	0	1	462.628	0.948	1	30		JCEFMN
CCCCCCCCCCCCCCNC(=O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000049793949	563204004	/nfs/dbraw/zinc/20/40/04/563204004.db2.gz	HGKYGQHAQOYASO-ZJJXDXEASA-N	0	1	462.628	0.948	1	30		JCEFMN
C=C1C(=O)C2=C(C(=O)C1OC)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CO)N3[C@@H](C#N)[C@H](C2)N1C	ZINC000059637766	563209123	/nfs/dbraw/zinc/20/91/23/563209123.db2.gz	JHAXVYBLQNHGFS-LLYLOPHFSA-N	0	1	493.516	0.138	1	30		JCEFMN