smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
FC(F)(F)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1	ZINC000032313411	202224070	/nfs/dbraw/zinc/22/40/70/202224070.db2.gz	FOKDRYRQIRJUJO-LSCVHKIXSA-N	0	1	338.314	4.102	10	30		EIEEMN
N#CC1(Nc2ccccc2Cl)CCN(Cc2ccccc2)CC1	ZINC000033607774	202268225	/nfs/dbraw/zinc/26/82/25/202268225.db2.gz	TVNMBSRPUFFJBV-UHFFFAOYSA-N	0	1	325.843	4.310	10	30		EIEEMN
COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1C(C)C	ZINC000035456254	202304113	/nfs/dbraw/zinc/30/41/13/202304113.db2.gz	ICGJYPHJKQOZMN-ZDLGFXPLSA-N	0	1	326.425	4.108	10	30		EIEEMN
C/C(=N\O)c1ccccc1OCc1ccc(Br)s1	ZINC000019809255	202022715	/nfs/dbraw/zinc/02/27/15/202022715.db2.gz	MKMSBCASLUNOPT-OQLLNIDSSA-N	0	1	326.215	4.288	10	30		EIEEMN
CCOc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC	ZINC000038206048	202399919	/nfs/dbraw/zinc/39/99/19/202399919.db2.gz	ZYEBEMHRECHBNH-WQRHYEAKSA-N	0	1	327.409	4.150	10	30		EIEEMN
CCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC	ZINC000038206048	202399923	/nfs/dbraw/zinc/39/99/23/202399923.db2.gz	ZYEBEMHRECHBNH-WQRHYEAKSA-N	0	1	327.409	4.150	10	30		EIEEMN
C=CCO[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000070038295	203071064	/nfs/dbraw/zinc/07/10/64/203071064.db2.gz	LUYWGZCFBUQFSB-RISCZKNCSA-N	0	1	346.839	4.231	10	30		EIEEMN
C=CCO[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000070038291	203071104	/nfs/dbraw/zinc/07/11/04/203071104.db2.gz	LUYWGZCFBUQFSB-BXUZGUMPSA-N	0	1	346.839	4.231	10	30		EIEEMN
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Cl	ZINC000033792374	202270794	/nfs/dbraw/zinc/27/07/94/202270794.db2.gz	WZKDEQFOAHSYKI-PXNMLYILSA-N	0	1	332.772	4.304	10	30		EIEEMN
CCOc1ccc2c(c1)nc(C)cc2NN=Cc1ccc(OC)cc1	ZINC000029135156	202181599	/nfs/dbraw/zinc/18/15/99/202181599.db2.gz	SEOSEBZSTUFFAK-FYJGNVAPSA-N	0	1	335.407	4.397	10	30		EIEEMN
CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1C1CCCCC1	ZINC000034029766	202271367	/nfs/dbraw/zinc/27/13/67/202271367.db2.gz	KPFBJLCGAVPQRV-KRWDZBQOSA-N	0	1	347.842	4.345	10	30		EIEEMN
C=CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000070038289	203071889	/nfs/dbraw/zinc/07/18/89/203071889.db2.gz	LUYWGZCFBUQFSB-SMDDNHRTSA-N	0	1	346.839	4.231	10	30		EIEEMN
COc1cc(C=NN=c2[nH]c3ccccc3o2)ccc1OC(C)C	ZINC000005522649	521996124	/nfs/dbraw/zinc/99/61/24/521996124.db2.gz	WUJKNXROUREZLW-YBFXNURJSA-N	0	1	325.368	4.070	10	30		EIEEMN
COc1cc(C=NNc2nc3ccccc3o2)ccc1OC(C)C	ZINC000005522649	521996130	/nfs/dbraw/zinc/99/61/30/521996130.db2.gz	WUJKNXROUREZLW-YBFXNURJSA-N	0	1	325.368	4.070	10	30		EIEEMN
COc1ccc(C(=O)/C=C/c2ccccc2Br)c(O)c1	ZINC000004276995	210159362	/nfs/dbraw/zinc/15/93/62/210159362.db2.gz	QPKNQRYYKWUMST-RMKNXTFCSA-N	0	1	333.181	4.059	10	30		EIEEMN
CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1	ZINC000002226969	258049663	/nfs/dbraw/zinc/04/96/63/258049663.db2.gz	JYDLISZRFYDOLC-UYRXBGFRSA-N	0	1	338.436	4.279	10	30		EIEEMN
C=CCc1cccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1O	ZINC000001834398	519141460	/nfs/dbraw/zinc/14/14/60/519141460.db2.gz	LTSZEEOAFOURPH-UNOMPAQXSA-N	0	1	342.468	4.305	10	30		EIEEMN
CC(C)(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1	ZINC000004001016	210099297	/nfs/dbraw/zinc/09/92/97/210099297.db2.gz	QXVCRFUZOALINP-WQRHYEAKSA-N	0	1	326.425	4.380	10	30		EIEEMN
CCCCCCCCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116246208	1030782374	/nfs/dbraw/zinc/78/23/74/1030782374.db2.gz	CQIJQKPSILPITR-AZUAARDMSA-N	0	1	345.531	4.159	10	30		EIEEMN
Cc1ccc(-c2csc(N=NCc3ccc(N(C)C)cc3)n2)cc1	ZINC000033394579	525779645	/nfs/dbraw/zinc/77/96/45/525779645.db2.gz	UCUIKXYYEKJPII-NDENLUEZSA-N	0	1	336.464	4.052	10	30		EIEEMN
S=c1[nH]nc(-c2ccccn2)n1N=Cc1cccc2ccccc12	ZINC000012485448	211394067	/nfs/dbraw/zinc/39/40/67/211394067.db2.gz	CAUHODLBUAUUDW-UDWIEESQSA-N	0	1	331.404	4.038	10	30		EIEEMN
CCCCCCCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116246212	1030781947	/nfs/dbraw/zinc/78/19/47/1030781947.db2.gz	CQIJQKPSILPITR-ICSRJNTNSA-N	0	1	345.531	4.159	10	30		EIEEMN
COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1	ZINC000005614673	210500831	/nfs/dbraw/zinc/50/08/31/210500831.db2.gz	AFCVTJCHRCYTGE-NDENLUEZSA-N	0	1	333.416	4.326	10	30		EIEEMN