smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1nc(CN[C@@H]2CCCN(c3cccnn3)C2)sc1-c1ccccc1	ZINC000159884903	495832960	/nfs/dbraw/zinc/83/29/60/495832960.db2.gz	WXNAQSSUGSZAGX-MRXNPFEDSA-N	0	1	351.479	3.359	10	70		FGIEMN
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CSc3nccn3C)c2)C1	ZINC000161315336	496150502	/nfs/dbraw/zinc/15/05/02/496150502.db2.gz	JJIOHTMGFLPDCC-QAPCUYQASA-N	0	1	372.538	3.171	10	70		FGIEMN
O=C(NCc1cccc(-c2ccccn2)c1)N1CCN2CCCC[C@@H]2C1	ZINC000160173708	495900878	/nfs/dbraw/zinc/90/08/78/495900878.db2.gz	VWDZSHUDXJCLPR-LJQANCHMSA-N	0	1	350.466	3.128	10	70		FGIEMN
O=C(CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095283	496102712	/nfs/dbraw/zinc/10/27/12/496102712.db2.gz	FYZOUUJKKSKUMY-SJORKVTESA-N	0	1	370.415	3.262	10	70		FGIEMN
O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2cccs2)CC1	ZINC000160307515	495931924	/nfs/dbraw/zinc/93/19/24/495931924.db2.gz	VDTBLUJRKWOFJS-QGZVFWFLSA-N	0	1	366.914	3.101	10	70		FGIEMN
C[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1	ZINC000160120062	495888756	/nfs/dbraw/zinc/88/87/56/495888756.db2.gz	AQMUUZFNJCACFI-MRXNPFEDSA-N	0	1	353.445	3.189	10	70		FGIEMN
C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)c1ccccc1-n1cccn1	ZINC000159695427	495789421	/nfs/dbraw/zinc/78/94/21/495789421.db2.gz	GPZQFMNZJWJEDO-UWJYYQICSA-N	0	1	362.477	3.222	10	70		FGIEMN
C[C@@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)c1ccccc1-n1cccn1	ZINC000159695578	495789113	/nfs/dbraw/zinc/78/91/13/495789113.db2.gz	GPZQFMNZJWJEDO-UTKZUKDTSA-N	0	1	362.477	3.222	10	70		FGIEMN
O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161359184	496159575	/nfs/dbraw/zinc/15/95/75/496159575.db2.gz	NAUGTCKAJYNPHG-SFTDATJTSA-N	0	1	365.477	3.116	10	70		FGIEMN
CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160931492	496070000	/nfs/dbraw/zinc/07/00/00/496070000.db2.gz	YFNSGXFWHCUSOB-AUUYWEPGSA-N	0	1	368.880	3.065	10	70		FGIEMN
CCN1CCC[C@@H](NC(=O)CSc2cccc(Br)c2)C1	ZINC000160989011	496079736	/nfs/dbraw/zinc/07/97/36/496079736.db2.gz	QNOVFVXMFQHVOV-CYBMUJFWSA-N	0	1	357.317	3.142	10	70		FGIEMN
CCN1CCC[C@H](NC(=O)CSc2cccc(Br)c2)C1	ZINC000160988882	496080471	/nfs/dbraw/zinc/08/04/71/496080471.db2.gz	QNOVFVXMFQHVOV-ZDUSSCGKSA-N	0	1	357.317	3.142	10	70		FGIEMN
CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1csc(C(C)(C)C)n1	ZINC000160705272	496024550	/nfs/dbraw/zinc/02/45/50/496024550.db2.gz	VRPDDZNRDQRALV-KRWDZBQOSA-N	0	1	359.539	3.272	10	70		FGIEMN
c1nc(CN[C@H]2CCCN(c3cccnn3)C2)sc1-c1ccccc1	ZINC000159885035	495832713	/nfs/dbraw/zinc/83/27/13/495832713.db2.gz	WXNAQSSUGSZAGX-INIZCTEOSA-N	0	1	351.479	3.359	10	70		FGIEMN
CCC[C@@H](C(=O)Nc1ccc(I)cc1C)N(C)C	ZINC000161159423	496116982	/nfs/dbraw/zinc/11/69/82/496116982.db2.gz	GOTGKACQKOJXCR-ZDUSSCGKSA-N	0	1	360.239	3.268	10	70		FGIEMN
Cc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c(Br)c1	ZINC000161178867	496121749	/nfs/dbraw/zinc/12/17/49/496121749.db2.gz	DZFIHYDGKYNHCQ-KBPBESRZSA-N	0	1	351.288	3.456	10	70		FGIEMN
C[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1	ZINC000160119911	495889354	/nfs/dbraw/zinc/88/93/54/495889354.db2.gz	AQMUUZFNJCACFI-INIZCTEOSA-N	0	1	353.445	3.189	10	70		FGIEMN
O[C@H](COCc1ccc(Cl)cc1)CN1CCN(c2cccs2)CC1	ZINC000160307410	495931819	/nfs/dbraw/zinc/93/18/19/495931819.db2.gz	VDTBLUJRKWOFJS-KRWDZBQOSA-N	0	1	366.914	3.101	10	70		FGIEMN
C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Br)cc1	ZINC000161042546	496091041	/nfs/dbraw/zinc/09/10/41/496091041.db2.gz	ZEBPTAMKHJYLKJ-XJKSGUPXSA-N	0	1	351.288	3.249	10	70		FGIEMN
O=C([C@H]1CCCCN1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161359053	496160195	/nfs/dbraw/zinc/16/01/95/496160195.db2.gz	NAUGTCKAJYNPHG-LEWJYISDSA-N	0	1	365.477	3.116	10	70		FGIEMN
C[C@H](C(=O)OC(C)(C)C)N(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159990980	495857984	/nfs/dbraw/zinc/85/79/84/495857984.db2.gz	AFLWEZIKQYTFFX-SNVBAGLBSA-N	0	1	368.275	3.487	10	70		FGIEMN
CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000160348010	495942333	/nfs/dbraw/zinc/94/23/33/495942333.db2.gz	JIKOJNRBVMVJLA-IBGZPJMESA-N	0	1	352.482	3.374	10	70		FGIEMN
CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160931623	496070082	/nfs/dbraw/zinc/07/00/82/496070082.db2.gz	YFNSGXFWHCUSOB-KUHUBIRLSA-N	0	1	368.880	3.065	10	70		FGIEMN
Cn1cc([C@@H]2CCN(Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718015	495793648	/nfs/dbraw/zinc/79/36/48/495793648.db2.gz	KHEDNBFCHMCZOS-LLVKDONJSA-N	0	1	360.259	3.048	10	70		FGIEMN
CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160816414	496047312	/nfs/dbraw/zinc/04/73/12/496047312.db2.gz	OYDRALYWRKRIAW-DENIHFKCSA-N	0	1	374.525	3.109	10	70		FGIEMN
CCCCOc1cccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160816414	496047320	/nfs/dbraw/zinc/04/73/20/496047320.db2.gz	OYDRALYWRKRIAW-DENIHFKCSA-N	0	1	374.525	3.109	10	70		FGIEMN
CCC[C@H](C(=O)Nc1ccc(I)cc1C)N(C)C	ZINC000161159523	496117102	/nfs/dbraw/zinc/11/71/02/496117102.db2.gz	GOTGKACQKOJXCR-CYBMUJFWSA-N	0	1	360.239	3.268	10	70		FGIEMN
Cc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c(Br)c1	ZINC000161178987	496121709	/nfs/dbraw/zinc/12/17/09/496121709.db2.gz	DZFIHYDGKYNHCQ-UONOGXRCSA-N	0	1	351.288	3.456	10	70		FGIEMN
O=C(NCc1cccc(-c2ccccn2)c1)N1CCN2CCCC[C@H]2C1	ZINC000160173849	495901101	/nfs/dbraw/zinc/90/11/01/495901101.db2.gz	VWDZSHUDXJCLPR-IBGZPJMESA-N	0	1	350.466	3.128	10	70		FGIEMN
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160724258	496028796	/nfs/dbraw/zinc/02/87/96/496028796.db2.gz	ASICVOLRDQLCGS-WRWLIDTKSA-N	0	1	364.917	3.486	10	70		FGIEMN
CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(CSc3nccn3C)c2)[C@@H](C)C1	ZINC000161315447	496150588	/nfs/dbraw/zinc/15/05/88/496150588.db2.gz	JJIOHTMGFLPDCC-YJBOKZPZSA-N	0	1	372.538	3.171	10	70		FGIEMN
CC[C@@](C)(O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000160518768	495981987	/nfs/dbraw/zinc/98/19/87/495981987.db2.gz	PZRKIGGJBABYIG-CQSZACIVSA-N	0	1	352.784	3.390	10	70		FGIEMN
CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160816523	496047784	/nfs/dbraw/zinc/04/77/84/496047784.db2.gz	OYDRALYWRKRIAW-KNQAVFIVSA-N	0	1	374.525	3.109	10	70		FGIEMN
CCCCOc1cccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160816523	496047789	/nfs/dbraw/zinc/04/77/89/496047789.db2.gz	OYDRALYWRKRIAW-KNQAVFIVSA-N	0	1	374.525	3.109	10	70		FGIEMN
CCOCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1CC	ZINC000159930512	495843916	/nfs/dbraw/zinc/84/39/16/495843916.db2.gz	TWWGIIFMXOEMSN-QGZVFWFLSA-N	0	1	350.507	3.050	10	70		FGIEMN
C[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Br)cc1	ZINC000161042666	496091444	/nfs/dbraw/zinc/09/14/44/496091444.db2.gz	ZEBPTAMKHJYLKJ-CZUORRHYSA-N	0	1	351.288	3.249	10	70		FGIEMN
O=C(CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095175	496102738	/nfs/dbraw/zinc/10/27/38/496102738.db2.gz	FYZOUUJKKSKUMY-DLBZAZTESA-N	0	1	370.415	3.262	10	70		FGIEMN
CC[C@](C)(O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000160518638	495981758	/nfs/dbraw/zinc/98/17/58/495981758.db2.gz	PZRKIGGJBABYIG-AWEZNQCLSA-N	0	1	352.784	3.390	10	70		FGIEMN
O[C@H](Cc1ccccc1)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161078445	496098406	/nfs/dbraw/zinc/09/84/06/496098406.db2.gz	HBCUDYCNSCMSHS-GUDVDZBRSA-N	0	1	365.395	3.417	10	70		FGIEMN
CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161115946	496105985	/nfs/dbraw/zinc/10/59/85/496105985.db2.gz	RLBACPSAPIUVMZ-WRWLIDTKSA-N	0	1	362.539	3.211	10	70		FGIEMN
CCn1cc(C2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cn1	ZINC000160461806	495968927	/nfs/dbraw/zinc/96/89/27/495968927.db2.gz	GPRSXQPGALGKSV-FQEVSTJZSA-N	0	1	352.482	3.102	10	70		FGIEMN
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161139348	496112913	/nfs/dbraw/zinc/11/29/13/496112913.db2.gz	UOQFYGLUPLKSCU-AKCHCHLHSA-N	0	1	366.452	3.111	10	70		FGIEMN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)C1	ZINC000161087357	496099888	/nfs/dbraw/zinc/09/98/88/496099888.db2.gz	FXORNQZGHSTBLJ-CJNGLKHVSA-N	0	1	368.930	3.101	10	70		FGIEMN
CCC[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)N(C)C	ZINC000161390337	496166627	/nfs/dbraw/zinc/16/66/27/496166627.db2.gz	JJFWBIAFNAERBM-KRWDZBQOSA-N	0	1	358.442	3.270	10	70		FGIEMN
O=C1[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(Cl)c(F)c1	ZINC000161396243	496167785	/nfs/dbraw/zinc/16/77/85/496167785.db2.gz	JUSGGRNOFQXTCL-OMWUSAIZSA-N	0	1	366.864	3.211	10	70		FGIEMN
O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1	ZINC000161429464	496175016	/nfs/dbraw/zinc/17/50/16/496175016.db2.gz	XYMSWVKMSKAMMW-TZIWHRDSSA-N	0	1	371.452	3.298	10	70		FGIEMN
C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159990840	495858497	/nfs/dbraw/zinc/85/84/97/495858497.db2.gz	AFLWEZIKQYTFFX-JTQLQIEISA-N	0	1	368.275	3.487	10	70		FGIEMN
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1	ZINC000161402033	496168898	/nfs/dbraw/zinc/16/88/98/496168898.db2.gz	MNTBOBHXUHIUFL-UZLBHIALSA-N	0	1	365.477	3.397	10	70		FGIEMN
O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1	ZINC000161429301	496174721	/nfs/dbraw/zinc/17/47/21/496174721.db2.gz	XYMSWVKMSKAMMW-PZJWPPBQSA-N	0	1	371.452	3.298	10	70		FGIEMN
CCOCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1CC	ZINC000159930641	495843434	/nfs/dbraw/zinc/84/34/34/495843434.db2.gz	TWWGIIFMXOEMSN-KRWDZBQOSA-N	0	1	350.507	3.050	10	70		FGIEMN
Brc1ccc2nc(CN3CCC(Cn4cccn4)CC3)[nH]c2c1	ZINC000159440852	495733475	/nfs/dbraw/zinc/73/34/75/495733475.db2.gz	ANWNDVXNYLFJJF-UHFFFAOYSA-N	0	1	374.286	3.434	10	70		FGIEMN
O[C@]12CCCC[C@@H]1CN(Cc1nc3ccc(Br)cc3[nH]1)CC2	ZINC000160289540	495928319	/nfs/dbraw/zinc/92/83/19/495928319.db2.gz	NOOCPNRAVVAUBB-PXAZEXFGSA-N	0	1	364.287	3.452	10	70		FGIEMN
CCC[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)N(C)C	ZINC000161390467	496166250	/nfs/dbraw/zinc/16/62/50/496166250.db2.gz	JJFWBIAFNAERBM-QGZVFWFLSA-N	0	1	358.442	3.270	10	70		FGIEMN
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)c1ccccc1-n1cccn1	ZINC000159695284	495789243	/nfs/dbraw/zinc/78/92/43/495789243.db2.gz	GPZQFMNZJWJEDO-DYESRHJHSA-N	0	1	362.477	3.222	10	70		FGIEMN
O=C(CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095413	496101949	/nfs/dbraw/zinc/10/19/49/496101949.db2.gz	FYZOUUJKKSKUMY-IAGOWNOFSA-N	0	1	370.415	3.262	10	70		FGIEMN
O=C(CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095056	496102933	/nfs/dbraw/zinc/10/29/33/496102933.db2.gz	FYZOUUJKKSKUMY-IRXDYDNUSA-N	0	1	370.415	3.262	10	70		FGIEMN
C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)c1ccccc1-n1cccn1	ZINC000159695131	495789226	/nfs/dbraw/zinc/78/92/26/495789226.db2.gz	GPZQFMNZJWJEDO-LAUBAEHRSA-N	0	1	362.477	3.222	10	70		FGIEMN
CN(C)[C@H](Cc1ccccc1)C(=O)NCCc1csc(C(C)(C)C)n1	ZINC000160705142	496024660	/nfs/dbraw/zinc/02/46/60/496024660.db2.gz	VRPDDZNRDQRALV-QGZVFWFLSA-N	0	1	359.539	3.272	10	70		FGIEMN
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000160347866	495942506	/nfs/dbraw/zinc/94/25/06/495942506.db2.gz	JIKOJNRBVMVJLA-LJQANCHMSA-N	0	1	352.482	3.374	10	70		FGIEMN
CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160680968	496018067	/nfs/dbraw/zinc/01/80/67/496018067.db2.gz	ZPRXEPGNHFHBAH-ZWCUEREDSA-N	0	1	374.525	3.280	10	70		FGIEMN
CCn1cc(C2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cn1	ZINC000160461920	495968650	/nfs/dbraw/zinc/96/86/50/495968650.db2.gz	GPRSXQPGALGKSV-HXUWFJFHSA-N	0	1	352.482	3.102	10	70		FGIEMN
CC(C)N1C[C@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1	ZINC000161087477	496099720	/nfs/dbraw/zinc/09/97/20/496099720.db2.gz	FXORNQZGHSTBLJ-BBRMVZONSA-N	0	1	368.930	3.101	10	70		FGIEMN
O[C@@]12CCCC[C@@H]1CN(Cc1nc3ccc(Br)cc3[nH]1)CC2	ZINC000160289425	495928029	/nfs/dbraw/zinc/92/80/29/495928029.db2.gz	NOOCPNRAVVAUBB-SJKOYZFVSA-N	0	1	364.287	3.452	10	70		FGIEMN
Cn1cc([C@H]2CCN(Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718148	495793392	/nfs/dbraw/zinc/79/33/92/495793392.db2.gz	KHEDNBFCHMCZOS-NSHDSACASA-N	0	1	360.259	3.048	10	70		FGIEMN