smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034533	523404513	/nfs/dbraw/zinc/40/45/13/523404513.db2.gz	ZMGUKFHHNQMKJI-ZUIFKJIVSA-N	0	1	396.439	4.459	10	30		GIEEMN
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1[N+](=O)[O-]	ZINC000005930711	204156834	/nfs/dbraw/zinc/15/68/34/204156834.db2.gz	KTXLAHKXAQGXAY-UHFFFAOYSA-N	0	1	386.371	4.281	10	30		GIEEMN
O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCCC1	ZINC000100040706	527268333	/nfs/dbraw/zinc/26/83/33/527268333.db2.gz	NBYBJBSSQWLRPR-RGVLZGJSSA-N	0	1	399.299	4.234	10	30		GIEEMN
COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034538	523429639	/nfs/dbraw/zinc/42/96/39/523429639.db2.gz	ZMGUKFHHNQMKJI-QYXFOCPYSA-N	0	1	396.439	4.459	10	30		GIEEMN
N=C(NOC(=O)C=Cc1ccccc1)c1ccc(OCc2ccccc2F)cc1	ZINC000020508594	526806629	/nfs/dbraw/zinc/80/66/29/526806629.db2.gz	QTDHXBCLESWEGV-XNTDXEJSSA-N	0	1	390.414	4.282	10	30		GIEEMN
C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4([C@H]4OCCN4C5)[C@@H]3CC2)[C@@H]1OC(C)=O	ZINC000056871278	291135052	/nfs/dbraw/zinc/13/50/52/291135052.db2.gz	YHPDTHOCMSACJY-GHLDWZHFSA-N	0	1	385.548	4.149	10	30	biogenic,in-vitro	GIEEMN
N=C(NOC(=O)C=Cc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1	ZINC000020508592	526807048	/nfs/dbraw/zinc/80/70/48/526807048.db2.gz	HZGRHCPOOYRPPM-OVCLIPMQSA-N	0	1	390.414	4.282	10	30		GIEEMN
COc1cc(Br)cc(C=NNc2nc3ccccc3s2)c1O	ZINC000096594332	522026619	/nfs/dbraw/zinc/02/66/19/522026619.db2.gz	CXGFQDFTTTWLCO-IUXPMGMMSA-N	0	1	378.251	4.219	10	30		GIEEMN
C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000043721833	209094999	/nfs/dbraw/zinc/09/49/99/209094999.db2.gz	NSBRKSWSLRQPJW-LDHQQMMRSA-N	0	1	396.487	4.354	10	30		GIEEMN
CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1	ZINC000002252408	520885495	/nfs/dbraw/zinc/88/54/95/520885495.db2.gz	YBOXXXHKWXQAMZ-STZFKDTASA-N	0	1	381.505	4.345	10	30		GIEEMN
C=C[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000002041225	570252414	/nfs/dbraw/zinc/25/24/14/570252414.db2.gz	NSBRKSWSLRQPJW-AJAKECSLSA-N	0	1	396.487	4.354	10	30	in-man	GIEEMN
Cc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccccc3)cc2)c1C#N	ZINC000014182910	207013110	/nfs/dbraw/zinc/01/31/10/207013110.db2.gz	OITULRGILLMGMX-UHFFFAOYSA-N	0	1	375.453	4.100	10	30		GIEEMN
CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1cc(C#N)cs1)CC2	ZINC000548677665	570912897	/nfs/dbraw/zinc/91/28/97/570912897.db2.gz	GUNSXFZORBCTJE-IBGZPJMESA-N	0	1	385.558	4.084	10	30		GIEEMN
Oc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1COc1ccccc1	ZINC000102908097	526354394	/nfs/dbraw/zinc/35/43/94/526354394.db2.gz	GNILVABMYIDJHP-MTJSOVHGSA-N	0	1	376.441	4.261	10	30		GIEEMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1	ZINC000102483959	525941394	/nfs/dbraw/zinc/94/13/94/525941394.db2.gz	XTRHMDDEVNOSMJ-LYHOESIGSA-N	0	1	379.437	4.271	10	30		GIEEMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1	ZINC000102483952	525942478	/nfs/dbraw/zinc/94/24/78/525942478.db2.gz	XTRHMDDEVNOSMJ-VZCCSQPZSA-N	0	1	379.437	4.271	10	30		GIEEMN
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCc3c[nH]nc32)cc1	ZINC000089775082	211183660	/nfs/dbraw/zinc/18/36/60/211183660.db2.gz	WHTPOMXJXQICHM-NRFANRHFSA-N	0	1	388.446	4.069	10	30		GIEEMN
C=CCN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000536952866	570470188	/nfs/dbraw/zinc/47/01/88/570470188.db2.gz	HRTYGRGSKCONAB-VWLOTQADSA-N	0	1	386.539	4.047	10	30		GIEEMN
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCc3c[nH]nc32)cc1	ZINC000089775080	211183769	/nfs/dbraw/zinc/18/37/69/211183769.db2.gz	WHTPOMXJXQICHM-OAQYLSRUSA-N	0	1	388.446	4.069	10	30		GIEEMN
CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cc(C#N)cs1)CC2	ZINC000548677666	570912989	/nfs/dbraw/zinc/91/29/89/570912989.db2.gz	GUNSXFZORBCTJE-LJQANCHMSA-N	0	1	385.558	4.084	10	30		GIEEMN
O=[N+]([O-])c1ccc(C=Nn2c(Cc3cccc4ccccc43)n[nH]c2=S)cc1	ZINC000006639741	209663432	/nfs/dbraw/zinc/66/34/32/209663432.db2.gz	LDCSPGYRBHDVOR-FYJGNVAPSA-N	0	1	389.440	4.475	10	30		GIEEMN
Cc1cc(C)c(C)c(OCC(=O)ONC(=N)Cc2ccc(Cl)c(Cl)c2)c1	ZINC000017083975	524246578	/nfs/dbraw/zinc/24/65/78/524246578.db2.gz	RXTRNKAXGWPHEC-UHFFFAOYSA-N	0	1	395.286	4.356	10	30		GIEEMN
COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000005889379	523405822	/nfs/dbraw/zinc/40/58/22/523405822.db2.gz	ZMGUKFHHNQMKJI-JUNGOYSISA-N	0	1	396.439	4.459	10	30		GIEEMN
Brc1csc(C=NN=c2nc[nH]c3sc4c(c32)CCC4)c1	ZINC000005749213	570454955	/nfs/dbraw/zinc/45/49/55/570454955.db2.gz	XEYDPZQZPYEBIC-BLLMUTORSA-N	0	1	379.308	4.450	10	30		GIEEMN
CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2	ZINC000275611934	570697133	/nfs/dbraw/zinc/69/71/33/570697133.db2.gz	IXBPDBDQVXWNRP-LJQANCHMSA-N	0	1	385.558	4.084	10	30		GIEEMN
COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034527	523430454	/nfs/dbraw/zinc/43/04/54/523430454.db2.gz	ZMGUKFHHNQMKJI-VJGCVFPESA-N	0	1	396.439	4.459	10	30		GIEEMN
C=CCN(C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000675058473	570903177	/nfs/dbraw/zinc/90/31/77/570903177.db2.gz	HRTYGRGSKCONAB-RUZDIDTESA-N	0	1	386.539	4.047	10	30		GIEEMN
Cc1c(CN=Nc2ccccn2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000005446462	525520059	/nfs/dbraw/zinc/52/00/59/525520059.db2.gz	YNCYVDVRPPCSAC-ZVHZXABRSA-N	0	1	399.410	4.228	10	30		GIEEMN
CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ccc(C#N)s1)CC2	ZINC000275611931	570697227	/nfs/dbraw/zinc/69/72/27/570697227.db2.gz	IXBPDBDQVXWNRP-IBGZPJMESA-N	0	1	385.558	4.084	10	30		GIEEMN