smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1[C@@H](Cl)[C@@H]1CN1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188407	998731148	/nfs/dbraw/zinc/73/11/48/998731148.db2.gz	QZOLZLOBMZYDJQ-GENCIFFESA-N	-1	1	247.722	1.034	20	50		BDGDMM
N#CC(C#N)=Cc1ccc(-c2nn[n-]n2)s1	ZINC000822801626	946190540	/nfs/dbraw/zinc/19/05/40/946190540.db2.gz	LHKMNMKAGDUHQP-UHFFFAOYSA-N	-1	1	228.240	1.359	20	50		BDGDMM
CN(N=Cc1cc(-c2cccnc2)[nH]n1)C(=O)[O-]	ZINC000828434543	603629966	/nfs/dbraw/zinc/62/99/66/603629966.db2.gz	DTGDJZSMMHYRNO-UHFFFAOYSA-N	-1	1	245.242	1.415	20	50		BDGDMM
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188406	998730754	/nfs/dbraw/zinc/73/07/54/998730754.db2.gz	QZOLZLOBMZYDJQ-CIQUZCHMSA-N	-1	1	247.722	1.034	20	50		BDGDMM
C[C@H]1[C@H](CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@H]1Cl	ZINC001594188409	998731068	/nfs/dbraw/zinc/73/10/68/998731068.db2.gz	QZOLZLOBMZYDJQ-MBGOZMDMSA-N	-1	1	247.722	1.034	20	50		BDGDMM
CN(N=Cc1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC000828434876	603857297	/nfs/dbraw/zinc/85/72/97/603857297.db2.gz	PLEYNICWPZSUDY-UHFFFAOYSA-N	-1	1	230.170	1.614	20	50		BDGDMM
Cc1nc(N=CC(C#N)C#N)sc1C(=O)[O-]	ZINC000738364918	978524909	/nfs/dbraw/zinc/52/49/09/978524909.db2.gz	YWOUXCRVIMIGMV-UHFFFAOYSA-N	-1	1	234.240	1.493	20	50		BDGDMM
Cc1cc2cc(C(=O)NNC(=O)[O-])oc2cc1C	ZINC000830143945	603216690	/nfs/dbraw/zinc/21/66/90/603216690.db2.gz	RHDMRSUIBIVDMQ-UHFFFAOYSA-N	-1	1	248.238	1.962	20	50		BDGDMM
C[C@@H]1[C@@H](Cl)[C@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188411	998731185	/nfs/dbraw/zinc/73/11/85/998731185.db2.gz	QZOLZLOBMZYDJQ-SQQIUAQRSA-N	-1	1	247.722	1.034	20	50		BDGDMM
N#CC1=CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833963030	605720084	/nfs/dbraw/zinc/72/00/84/605720084.db2.gz	GCZXIHGTCAXXKM-NSHDSACASA-N	-1	1	235.287	1.142	20	50		BDGDMM
CC(C)(C)c1ncsc1C(=O)NNC(=O)[O-]	ZINC000823870433	604057423	/nfs/dbraw/zinc/05/74/23/604057423.db2.gz	XUKNYXRMJQUHFQ-UHFFFAOYSA-N	-1	1	243.288	1.353	20	50		BDGDMM
O=C([O-])NN=Cc1cc(F)c(O)c(F)c1	ZINC000832744668	603857293	/nfs/dbraw/zinc/85/72/93/603857293.db2.gz	NEPZVUJAXOXAPT-UHFFFAOYSA-N	-1	1	216.143	1.272	20	50		BDGDMM
C/C(=C/C[N@@H+]1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833381706	605545293	/nfs/dbraw/zinc/54/52/93/605545293.db2.gz	DINGIXPFIGPLHR-MBXJOHMKSA-N	-1	1	206.245	1.173	20	50		BDGDMM
C/C(=C/CN1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833381706	605545294	/nfs/dbraw/zinc/54/52/94/605545294.db2.gz	DINGIXPFIGPLHR-MBXJOHMKSA-N	-1	1	206.245	1.173	20	50		BDGDMM
Cc1noc(C(C)C)c1C(=O)NNC(=O)[O-]	ZINC000738386292	978532015	/nfs/dbraw/zinc/53/20/15/978532015.db2.gz	RNDQLGLFSAJDOB-UHFFFAOYSA-N	-1	1	227.220	1.019	20	50		BDGDMM
C[C@H]1[C@H](CN2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@H]1Cl	ZINC001594188412	998730967	/nfs/dbraw/zinc/73/09/67/998730967.db2.gz	QZOLZLOBMZYDJQ-WYCDGMCDSA-N	-1	1	247.722	1.034	20	50		BDGDMM
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188408	998730801	/nfs/dbraw/zinc/73/08/01/998730801.db2.gz	QZOLZLOBMZYDJQ-KGDYZURWSA-N	-1	1	247.722	1.034	20	50		BDGDMM
O=C([O-])NN=Cc1cc(-c2ccccc2)[nH]n1	ZINC000832744317	605238661	/nfs/dbraw/zinc/23/86/61/605238661.db2.gz	JNNMSMMGZPCPBI-UHFFFAOYSA-N	-1	1	230.227	1.678	20	50		BDGDMM
N#CC1=CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833963029	605720009	/nfs/dbraw/zinc/72/00/09/605720009.db2.gz	GCZXIHGTCAXXKM-LLVKDONJSA-N	-1	1	235.287	1.142	20	50		BDGDMM
Cc1ccc(C(F)(F)C(=O)NNC(=O)[O-])cc1	ZINC000833905052	605772283	/nfs/dbraw/zinc/77/22/83/605772283.db2.gz	OBAOCONQKIJUQF-UHFFFAOYSA-N	-1	1	244.197	1.386	20	50		BDGDMM
C[C@@H]1[C@@H](Cl)[C@H]1CN1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188405	998730839	/nfs/dbraw/zinc/73/08/39/998730839.db2.gz	QZOLZLOBMZYDJQ-BQHMLIOBSA-N	-1	1	247.722	1.034	20	50		BDGDMM
CN(N=Cc1cccc(Cl)c1O)C(=O)[O-]	ZINC000828434526	603877819	/nfs/dbraw/zinc/87/78/19/603877819.db2.gz	DFDYGUMEJUNBAA-UHFFFAOYSA-N	-1	1	228.635	1.989	20	50		BDGDMM
CN(N=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000828434396	603493826	/nfs/dbraw/zinc/49/38/26/603493826.db2.gz	ATYWXLDTODNDRZ-UHFFFAOYSA-N	-1	1	239.187	1.244	20	50		BDGDMM
CCc1nc(N=CC(C#N)C#N)sc1C(=O)[O-]	ZINC000833674956	604989485	/nfs/dbraw/zinc/98/94/85/604989485.db2.gz	IKCMLGNWQCWHOB-UHFFFAOYSA-N	-1	1	248.267	1.747	20	50		BDGDMM
CC(C)c1ncc(C(=O)NNC(=O)[O-])s1	ZINC000824496174	605564453	/nfs/dbraw/zinc/56/44/53/605564453.db2.gz	UTWLQQXEJLHPSR-UHFFFAOYSA-N	-1	1	229.261	1.179	20	50		BDGDMM
O=C([O-])NN=Cc1cccc(Cl)c1O	ZINC000832743876	603878421	/nfs/dbraw/zinc/87/84/21/603878421.db2.gz	BYVPHFMVGKCBQK-UHFFFAOYSA-N	-1	1	214.608	1.647	20	50		BDGDMM
CCc1oc(C(=O)NNC(=O)[O-])cc1C	ZINC000827682117	604417954	/nfs/dbraw/zinc/41/79/54/604417954.db2.gz	VBNDMMRRKNYTGY-UHFFFAOYSA-N	-1	1	212.205	1.063	20	50		BDGDMM
C/C(=C\C[N@@H+]1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833381707	605545262	/nfs/dbraw/zinc/54/52/62/605545262.db2.gz	DINGIXPFIGPLHR-XNWCZRBMSA-N	-1	1	206.245	1.173	20	50		BDGDMM
C/C(=C\CN1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833381707	605545265	/nfs/dbraw/zinc/54/52/65/605545265.db2.gz	DINGIXPFIGPLHR-XNWCZRBMSA-N	-1	1	206.245	1.173	20	50		BDGDMM
O=C([O-])CCC(=O)NN=c1ccc(Cl)c[nH]1	ZINC001606101685	973278760	/nfs/dbraw/zinc/27/87/60/973278760.db2.gz	LRCZSHPVGLEQIN-UHFFFAOYSA-N	-1	1	243.650	1.043	20	50		BDGDMM
O=C([O-])NN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000832745358	603631969	/nfs/dbraw/zinc/63/19/69/603631969.db2.gz	WAEOALCOAKZOLS-UHFFFAOYSA-N	-1	1	231.215	1.073	20	50		BDGDMM
O=C([O-])NN=Cc1cc(Cl)cc(F)c1O	ZINC000834251341	605493001	/nfs/dbraw/zinc/49/30/01/605493001.db2.gz	UDFOIZSKNHSQPH-UHFFFAOYSA-N	-1	1	232.598	1.786	20	50		BDGDMM
C[C@@H]1[C@@H](Cl)[C@@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001594188410	998730947	/nfs/dbraw/zinc/73/09/47/998730947.db2.gz	QZOLZLOBMZYDJQ-MQIGXGKASA-N	-1	1	247.722	1.034	20	50		BDGDMM
CCc1cc(C(=O)NNC(=O)[O-])oc1CC	ZINC000827556545	605245673	/nfs/dbraw/zinc/24/56/73/605245673.db2.gz	LRNHRHBWKMTDFD-UHFFFAOYSA-N	-1	1	226.232	1.317	20	50		BDGDMM