smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1Cn1c(=O)c2cc(F)ccc2nc1N1CCC[C@@H](N)C1	ZINC000006716418	204194360	/nfs/dbraw/zinc/19/43/60/204194360.db2.gz	XMOSOHDOZCRMML-QGZVFWFLSA-N	0	3	377.423	2.383	1	30		GEEFHN
CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCC#N	ZINC000040408446	205064878	/nfs/dbraw/zinc/06/48/78/205064878.db2.gz	UYVLCFROUXUIBD-CQSZACIVSA-N	0	3	391.426	2.054	1	30		GEEFHN
CCCCCCCCCCCCNC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000043335137	205083846	/nfs/dbraw/zinc/08/38/46/205083846.db2.gz	RUNXTAASJGZDQY-INIZCTEOSA-N	0	3	386.541	2.227	1	30		GEEFHN
C=CCOc1ccccc1OC[C@H](O)CNCCNC(=O)Nc1ccccc1	ZINC000028262588	203785747	/nfs/dbraw/zinc/78/57/47/203785747.db2.gz	ROGJBUNDNBTUJG-GOSISDBHSA-N	0	3	385.464	2.402	1	30		GEEFHN
C[C@@](CCc1ccc(-c2ccc(C[NH3+])cc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000073295184	222270034	/nfs/dbraw/zinc/27/00/34/222270034.db2.gz	IKDDBPPQFCFGOD-LJQANCHMSA-N	0	3	376.478	2.054	1	30		GEEFHN
Cc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C(=O)N[O-])cc1	ZINC000029127327	581091590	/nfs/dbraw/zinc/09/15/90/581091590.db2.gz	HDDGWKVPDOMYLP-RBUKOAKNSA-N	0	3	393.443	2.155	1	30		GEEFHN
C=CCOc1ccccc1OC[C@H](O)CN[C@H](C)CNC(=O)Cc1ccccc1	ZINC000028755634	206255701	/nfs/dbraw/zinc/25/57/01/206255701.db2.gz	LJCZQLDELCCQCZ-UYAOXDASSA-N	0	3	398.503	2.328	1	30		GEEFHN
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)n[nH]c2c1C#CCN	ZINC000028604084	206254918	/nfs/dbraw/zinc/25/49/18/206254918.db2.gz	HQFQSQNKQICPBK-UHFFFAOYSA-N	0	3	395.415	2.139	1	30		GEEFHN
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]nc2c1C#CCN	ZINC000028604084	206254923	/nfs/dbraw/zinc/25/49/23/206254923.db2.gz	HQFQSQNKQICPBK-UHFFFAOYSA-N	0	3	395.415	2.139	1	30		GEEFHN
C=CCOc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1	ZINC000028262583	206255407	/nfs/dbraw/zinc/25/54/07/206255407.db2.gz	ROGJBUNDNBTUJG-SFHVURJKSA-N	0	3	385.464	2.402	1	30		GEEFHN
C=CCOc1ccccc1OC[C@@H](O)CN[C@@H](C)CNC(=O)Cc1ccccc1	ZINC000028755636	206255774	/nfs/dbraw/zinc/25/57/74/206255774.db2.gz	LJCZQLDELCCQCZ-ICSRJNTNSA-N	0	3	398.503	2.328	1	30		GEEFHN
C=CCOc1ccccc1OC[C@@H](O)CN[C@H](C)CNC(=O)Cc1ccccc1	ZINC000028755638	206254878	/nfs/dbraw/zinc/25/48/78/206254878.db2.gz	LJCZQLDELCCQCZ-QUCCMNQESA-N	0	3	398.503	2.328	1	30		GEEFHN
N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2)N1	ZINC000014947513	207032852	/nfs/dbraw/zinc/03/28/52/207032852.db2.gz	FIEYAHMLEPRXMZ-ZNMIVQPWSA-N	0	3	391.269	2.023	1	30		GEEFHN
N=C(N)NN=C1c2ccccc2C[C@@H]1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000101277676	208390013	/nfs/dbraw/zinc/39/00/13/208390013.db2.gz	UAVXDNAIZZVCLP-UGHXVNEISA-N	0	3	381.421	2.166	1	30		GEEFHN
C=CCOc1ccccc1OC[C@H](O)CN[C@@H](C)CNC(=O)Cc1ccccc1	ZINC000028755631	209179686	/nfs/dbraw/zinc/17/96/86/209179686.db2.gz	LJCZQLDELCCQCZ-AZUAARDMSA-N	0	3	398.503	2.328	1	30		GEEFHN
C=C1C[C@]23CC(=O)[C@H]4[C@]56C[C@@H](OC(C)=O)C[C@@]4(C)CN(C)[C@@H]5[C@H]2C(=O)[C@H]1C[C@H]36	ZINC000040392656	212041408	/nfs/dbraw/zinc/04/14/08/212041408.db2.gz	CKNLFSFBGRRFCB-OETVPYRWSA-N	0	3	383.488	2.389	1	30		GEEFHN
COc1cc2c(cc1OC)C(=NNC(=N)N)[C@@H](Sc1nc3ccccc3[nH]1)C2	ZINC000043123514	221947217	/nfs/dbraw/zinc/94/72/17/221947217.db2.gz	LZRZLGBUCBNGAL-FWGBXFHKSA-N	0	3	396.476	2.275	1	30		GEEFHN
CCN[C@H](C#Cc1c2c(ccc1F)NC(=O)/C2=C\c1[nH]ccc1OC)[C@@H](C)O	ZINC000014947114	212100440	/nfs/dbraw/zinc/10/04/40/212100440.db2.gz	XSAPHSITEDFKJO-GAMIKGPZSA-N	0	3	383.423	2.366	1	30		GEEFHN
COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1	ZINC000014961079	221319909	/nfs/dbraw/zinc/31/99/09/221319909.db2.gz	KEHDIZISMAQBKX-QGZVFWFLSA-N	0	3	389.459	2.253	1	30		GEEFHN
N=C(N)NN=C1c2cc(F)ccc2C[C@@H]1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000043068082	221946918	/nfs/dbraw/zinc/94/69/18/221946918.db2.gz	IJIWLODRZYWTOC-UJLHSTPFSA-N	0	3	399.411	2.305	1	30		GEEFHN