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)CCN=C1c2ccccc2[C@H]2[C@@H](c3ccccc31)C2(F)F	ZINC000027096956	202151521	/nfs/dbraw/zinc/15/15/21/202151521.db2.gz	HFXLGJSKOGIKAZ-HDICACEKSA-N	0	3	326.390	3.915	1	30		EHEFHN
C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2C/C=N\OCCN	ZINC000026170821	202140267	/nfs/dbraw/zinc/14/02/67/202140267.db2.gz	IULVOTXLXKCLLF-PDAMXOONSA-N	0	3	336.520	3.865	1	30		EHEFHN
N#CC[C@H]1C(C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21	ZINC000028005850	202164452	/nfs/dbraw/zinc/16/44/52/202164452.db2.gz	SQZXJFNYFZJZNB-DZGCQCFKSA-N	0	3	333.313	3.542	1	30		EHEFHN
Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1ccccc1Cl	ZINC000006491222	563569602	/nfs/dbraw/zinc/56/96/02/563569602.db2.gz	CUHIGJBJYLULRP-AWEZNQCLSA-N	0	3	326.783	3.772	1	30		EHEFHN
N#CC1C(=O)Oc2c3ccccc3ccc2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000026674640	202146160	/nfs/dbraw/zinc/14/61/60/202146160.db2.gz	UEUSYGSOPNDSDF-ZWKOTPCHSA-N	0	3	344.326	3.939	1	30		EHEFHN
O=C1C=C(c2ccco2)OC2(CCN(CCc3ccccc3)CC2)C1	ZINC000026295727	202141811	/nfs/dbraw/zinc/14/18/11/202141811.db2.gz	XNWBEXZKIONLQA-UHFFFAOYSA-N	0	3	337.419	3.687	1	30		EHEFHN
C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)C(C#N)C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000031821021	202211083	/nfs/dbraw/zinc/21/10/83/202211083.db2.gz	OWPZGBFPVXSVIP-USKVIOJFSA-N	0	3	329.440	3.515	1	30		EHEFHN
N#CC1C(=O)Oc2c3ccccc3ccc2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000026674643	202147115	/nfs/dbraw/zinc/14/71/15/202147115.db2.gz	UEUSYGSOPNDSDF-ROUUACIJSA-N	0	3	344.326	3.939	1	30		EHEFHN
CN(C)C1CSC(C#N)(c2cccc(C(F)(F)F)c2)SC1	ZINC000103189913	204065808	/nfs/dbraw/zinc/06/58/08/204065808.db2.gz	LMHPPQVCRNKSSY-UHFFFAOYSA-N	0	3	332.416	3.792	1	30		EHEFHN
CN(C)C1CSC(C#N)(c2cccc(Br)c2)SC1	ZINC000103189907	204066395	/nfs/dbraw/zinc/06/63/95/204066395.db2.gz	WKSIVKORYWYALW-UHFFFAOYSA-N	0	3	343.315	3.536	1	30		EHEFHN
CC(=O)O[C@H]1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21	ZINC000101106165	204001085	/nfs/dbraw/zinc/00/10/85/204001085.db2.gz	NIBSKZAKNHPDAI-PIUNUONSSA-N	0	3	334.419	3.955	1	30		EHEFHN
C=CCN1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cc(C)cc(C)c1)C2	ZINC000004887875	210313692	/nfs/dbraw/zinc/31/36/92/210313692.db2.gz	WLUAZQOLMDIMEI-YQQQUEKLSA-N	0	3	327.472	3.996	1	30		EHEFHN
C=C1C[C@H](c2ccccc2OC[C@@H](O)CN2CCCCC2)O[C@@H](C)C1	ZINC000000348466	209544047	/nfs/dbraw/zinc/54/40/47/209544047.db2.gz	CFHZVZFMLYTFQW-BBTUJRGHSA-N	0	3	345.483	3.708	3	30		EHEFHN
Cc1cc(NC(=NC(C)(C)C)N[C@H]2NC=CS2)c2ccccc2n1	ZINC000101177123	204002788	/nfs/dbraw/zinc/00/27/88/204002788.db2.gz	BTUDHKWPMCEHCY-QGZVFWFLSA-N	0	3	341.484	3.600	1	30		EHEFHN
C=CCN1CCC(COc2nc3ccsc3n3cccc23)CC1	ZINC000040895255	213398388	/nfs/dbraw/zinc/39/83/88/213398388.db2.gz	HMGZMUZOGXYLPC-UHFFFAOYSA-N	0	3	327.453	3.826	1	30		EHEFHN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=S)Nc1cccnc1	ZINC000036380234	213092101	/nfs/dbraw/zinc/09/21/01/213092101.db2.gz	NJLGZVPQXPZQFS-AEFFLSMTSA-N	0	3	338.480	3.615	3	30		EHEFHN
C=CCN1CCC(COc2nc3sccc3n3cccc23)CC1	ZINC000040891617	213397197	/nfs/dbraw/zinc/39/71/97/213397197.db2.gz	HZJDZQOHUZXRFS-UHFFFAOYSA-N	0	3	327.453	3.826	1	30		EHEFHN
C=C(C)[C@@H]1CC=C(CN2CCC(CCOC)(C(=O)OCC)CC2)CC1	ZINC000012225726	211325570	/nfs/dbraw/zinc/32/55/70/211325570.db2.gz	IGUJQBXNSBOQET-LJQANCHMSA-N	0	3	349.515	3.971	3	30		EHEFHN
COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN(C)C)cc1)C2	ZINC000040873513	213395738	/nfs/dbraw/zinc/39/57/38/213395738.db2.gz	YSIUWNDMUWINQD-RQZCQDPDSA-N	0	3	337.419	3.588	1	30		EHEFHN
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C#N)ccc2c1=O	ZINC000072106362	216009383	/nfs/dbraw/zinc/00/93/83/216009383.db2.gz	CZEIRSSOZVPWJO-UHFFFAOYSA-N	0	3	331.419	3.655	1	30		EHEFHN
CC(=O)O[C@@H]1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21	ZINC000101106164	219115922	/nfs/dbraw/zinc/11/59/22/219115922.db2.gz	NIBSKZAKNHPDAI-XOWGOQOESA-N	0	3	334.419	3.955	1	30		EHEFHN
CN(C)C1CSC(C#N)(c2ccccc2Br)SC1	ZINC000103191833	219267100	/nfs/dbraw/zinc/26/71/00/219267100.db2.gz	KUMRVULDUDKPHF-UHFFFAOYSA-N	0	3	343.315	3.536	1	30		EHEFHN
CCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1	ZINC000036187762	132391344	/nfs/dbraw/zinc/39/13/44/132391344.db2.gz	RODHUSJCLTZOJS-UHFFFAOYSA-N	0	3	332.488	3.940	1	30		EHEFHN
O=C(/C=C/c1ccc(Cl)cc1)c1cccc(N2CCNCC2)c1	ZINC000040420827	132399706	/nfs/dbraw/zinc/39/97/06/132399706.db2.gz	QMLIYVDDMYATQW-RMKNXTFCSA-N	0	3	326.827	3.646	1	30		EHEFHN
Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1ccccc1Cl	ZINC000001851212	563414426	/nfs/dbraw/zinc/41/44/26/563414426.db2.gz	CUHIGJBJYLULRP-CQSZACIVSA-N	0	3	326.783	3.772	1	30		EHEFHN
N#CC[C@H]1C(C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21	ZINC000028005854	212594919	/nfs/dbraw/zinc/59/49/19/212594919.db2.gz	SQZXJFNYFZJZNB-ZFWWWQNUSA-N	0	3	333.313	3.542	1	30		EHEFHN
CCCCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)n1	ZINC000043274158	213571599	/nfs/dbraw/zinc/57/15/99/213571599.db2.gz	CTPRMYUYOMGEBH-ICSRJNTNSA-N	0	3	336.520	3.898	1	30		EHEFHN
Cc1cccc(NC(=O)CN2CCC(c3ccccc3C#N)CC2)c1	ZINC000028604399	212626938	/nfs/dbraw/zinc/62/69/38/212626938.db2.gz	QYZNMIXMUJRKLL-UHFFFAOYSA-N	0	3	333.435	3.685	1	30		EHEFHN
COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(CN(C)C)c1)C2	ZINC000040873318	213396483	/nfs/dbraw/zinc/39/64/83/213396483.db2.gz	FKUUWLGWRLHFED-RQZCQDPDSA-N	0	3	337.419	3.588	1	30		EHEFHN
CN(C)C1CSC(C#N)(c2ccc(Br)cc2)SC1	ZINC000103191720	219267344	/nfs/dbraw/zinc/26/73/44/219267344.db2.gz	NNFLZMARVPTZSV-UHFFFAOYSA-N	0	3	343.315	3.536	1	30		EHEFHN