smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000001575222	368418985	/nfs/dbraw/zinc/41/89/85/368418985.db2.gz	ADPVUBKUMMKOKD-PJODQICGSA-N	0	3	254.377	3.158	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccccc2Cl)c1C	ZINC000223670568	376259474	/nfs/dbraw/zinc/25/94/74/376259474.db2.gz	LPFLKZROIUABNI-UHFFFAOYSA-N	0	3	292.810	3.484	40	10		CGCBHN
[NH3+][C@H](c1ccccc1O)c1c([O-])ccc2ccccc21	ZINC000032099096	368923672	/nfs/dbraw/zinc/92/36/72/368923672.db2.gz	CCYVKXDZAUBYTJ-QGZVFWFLSA-N	0	3	265.312	3.299	40	10		CGCBHN
CN(C)CCN1c2ccccc2Oc2ccccc21	ZINC000001865331	391913545	/nfs/dbraw/zinc/91/35/45/391913545.db2.gz	OLAYNBVHKMWMRS-UHFFFAOYSA-N	0	3	254.333	3.492	40	10		CGCBHN
CCN1c2cc(F)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781077	376262683	/nfs/dbraw/zinc/26/26/83/376262683.db2.gz	HWRCYOAJIBDSPW-JTQLQIEISA-N	0	3	250.361	3.397	40	10		CGCBHN
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C	ZINC000072216808	369815046	/nfs/dbraw/zinc/81/50/46/369815046.db2.gz	GVQICVZQQROCAL-OAHLLOKOSA-N	0	3	255.365	3.256	40	10		CGCBHN
[NH3+][C@@H](c1ccccc1O)c1c([O-])ccc2ccccc21	ZINC000032099095	368924018	/nfs/dbraw/zinc/92/40/18/368924018.db2.gz	CCYVKXDZAUBYTJ-KRWDZBQOSA-N	0	3	265.312	3.299	40	10		CGCBHN
CNCc1cc2c(cc1OC)N(C)C(C)(C)C=C2C	ZINC000223798693	376261959	/nfs/dbraw/zinc/26/19/59/376261959.db2.gz	XPGFHFPYIYRXAB-UHFFFAOYSA-N	0	3	260.381	3.046	40	10		CGCBHN
COc1cccc(C[N@@H+]2CCCC[C@H]2C(C)C)c1[O-]	ZINC000093444121	541981436	/nfs/dbraw/zinc/98/14/36/541981436.db2.gz	NYXAIVFQBRHYPY-AWEZNQCLSA-N	0	3	263.381	3.411	40	10		CGCBHN
COc1cccc(C[N@H+]2CCCC[C@H]2C(C)C)c1[O-]	ZINC000093444121	541981439	/nfs/dbraw/zinc/98/14/39/541981439.db2.gz	NYXAIVFQBRHYPY-AWEZNQCLSA-N	0	3	263.381	3.411	40	10		CGCBHN
COCCNCc1cc(C)n(-c2cccc(C)c2C)c1C	ZINC000223666426	376258707	/nfs/dbraw/zinc/25/87/07/376258707.db2.gz	GXUVYYXIKVXJGV-UHFFFAOYSA-N	0	3	286.419	3.447	40	10		CGCBHN
COc1cccc(C[N@@H+]2CCCC[C@@H]2C(C)C)c1[O-]	ZINC000093444122	541981349	/nfs/dbraw/zinc/98/13/49/541981349.db2.gz	NYXAIVFQBRHYPY-CQSZACIVSA-N	0	3	263.381	3.411	40	10		CGCBHN
COc1cccc(C[N@H+]2CCCC[C@@H]2C(C)C)c1[O-]	ZINC000093444122	541981353	/nfs/dbraw/zinc/98/13/53/541981353.db2.gz	NYXAIVFQBRHYPY-CQSZACIVSA-N	0	3	263.381	3.411	40	10		CGCBHN
CNCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C	ZINC000223783355	376262602	/nfs/dbraw/zinc/26/26/02/376262602.db2.gz	YADMWPPGDZGNTF-JTQLQIEISA-N	0	3	250.361	3.267	40	10		CGCBHN
Cn1ccc([C@H]2CCCCCN2Cc2ccccc2O)n1	ZINC000019291095	294361612	/nfs/dbraw/zinc/36/16/12/294361612.db2.gz	YLYYUPBHSHWQHM-MRXNPFEDSA-N	0	3	285.391	3.243	40	10		CGCBHN
COc1ccc([O-])c(C[NH+]2CC3CCC(CC3)C2)c1	ZINC000001615851	368423352	/nfs/dbraw/zinc/42/33/52/368423352.db2.gz	VAMWGLGPDWSEBU-UHFFFAOYSA-N	0	3	261.365	3.023	40	10		CGCBHN
COCCNCc1cc(C)n(-c2cccc(C)c2)c1C	ZINC000223665888	376258484	/nfs/dbraw/zinc/25/84/84/376258484.db2.gz	ZPNNOPPKWMFJEC-UHFFFAOYSA-N	0	3	272.392	3.139	40	10		CGCBHN
CNCc1cc2c(cc1OC)N(C)C(C)(C)C[C@@H]2C	ZINC000223783746	277286691	/nfs/dbraw/zinc/28/66/91/277286691.db2.gz	FHNBRZKWZDVSSD-NSHDSACASA-N	0	3	262.397	3.137	40	10		CGCBHN
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C	ZINC000072216807	369814988	/nfs/dbraw/zinc/81/49/88/369814988.db2.gz	GVQICVZQQROCAL-HNNXBMFYSA-N	0	3	255.365	3.256	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccc(Cl)cc2)c1C	ZINC000223671716	376258443	/nfs/dbraw/zinc/25/84/43/376258443.db2.gz	PBQZEWALZQLMFE-UHFFFAOYSA-N	0	3	292.810	3.484	40	10		CGCBHN
COCCNCc1cc(C)n(-c2cc(C)ccc2C)c1C	ZINC000223667624	376259407	/nfs/dbraw/zinc/25/94/07/376259407.db2.gz	JRDIIAJTOHZRAF-UHFFFAOYSA-N	0	3	286.419	3.447	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccc(C)cc2C)c1C	ZINC000223667012	376259427	/nfs/dbraw/zinc/25/94/27/376259427.db2.gz	RZFZDRATHGOOII-UHFFFAOYSA-N	0	3	286.419	3.447	40	10		CGCBHN
Cn1ccc([C@@H]2CCCCCN2Cc2ccccc2O)n1	ZINC000019291093	368748230	/nfs/dbraw/zinc/74/82/30/368748230.db2.gz	YLYYUPBHSHWQHM-INIZCTEOSA-N	0	3	285.391	3.243	40	10		CGCBHN
CCN1c2cc(F)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260717052	328054615	/nfs/dbraw/zinc/05/46/15/328054615.db2.gz	HWRCYOAJIBDSPW-SNVBAGLBSA-N	0	3	250.361	3.397	40	10		CGCBHN
C[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000005141622	368561499	/nfs/dbraw/zinc/56/14/99/368561499.db2.gz	ADPVUBKUMMKOKD-WPGHFRTFSA-N	0	3	254.377	3.158	40	10		CGCBHN
CCN1c2cc(OC)c(CN)cc2C(C)=CC1(C)C	ZINC000223796739	376262868	/nfs/dbraw/zinc/26/28/68/376262868.db2.gz	CIWZBBXAOZTBBF-UHFFFAOYSA-N	0	3	260.381	3.176	40	10		CGCBHN
CCN1c2cc(OC)c(CNC)cc2C(C)=CC1(C)C	ZINC000223798774	376262062	/nfs/dbraw/zinc/26/20/62/376262062.db2.gz	OJOPSQQRAFQULX-UHFFFAOYSA-N	0	3	274.408	3.436	40	10		CGCBHN
COCCNCc1cc(C)n(-c2cccc(Cl)c2)c1C	ZINC000223671131	376258347	/nfs/dbraw/zinc/25/83/47/376258347.db2.gz	FDMUVABYRIBOOC-UHFFFAOYSA-N	0	3	292.810	3.484	40	10		CGCBHN
Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C)cn1	ZINC000072216748	392200634	/nfs/dbraw/zinc/20/06/34/392200634.db2.gz	QRODJCQWDGYTRE-OAHLLOKOSA-N	0	3	255.365	3.256	40	10		CGCBHN
CCN1c2cc(OC)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260725488	328055357	/nfs/dbraw/zinc/05/53/57/328055357.db2.gz	WYXPHDPQXFNHKT-LLVKDONJSA-N	0	3	262.397	3.266	40	10		CGCBHN
CNCc1cc2c(cc1OC)N(C)C(C)(C)C[C@H]2C	ZINC000260716753	328054620	/nfs/dbraw/zinc/05/46/20/328054620.db2.gz	FHNBRZKWZDVSSD-LLVKDONJSA-N	0	3	262.397	3.137	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccccc2C)c1C	ZINC000223665396	376258507	/nfs/dbraw/zinc/25/85/07/376258507.db2.gz	NKKLMBOTDRNYPT-UHFFFAOYSA-N	0	3	272.392	3.139	40	10		CGCBHN
C[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000005141613	368561342	/nfs/dbraw/zinc/56/13/42/368561342.db2.gz	ADPVUBKUMMKOKD-XFJVYGCCSA-N	0	3	254.377	3.158	40	10		CGCBHN
CNCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C	ZINC000260725556	328055344	/nfs/dbraw/zinc/05/53/44/328055344.db2.gz	YADMWPPGDZGNTF-SNVBAGLBSA-N	0	3	250.361	3.267	40	10		CGCBHN
Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C)cn1	ZINC000072216747	392200116	/nfs/dbraw/zinc/20/01/16/392200116.db2.gz	QRODJCQWDGYTRE-HNNXBMFYSA-N	0	3	255.365	3.256	40	10		CGCBHN
CCN1c2cc(OC)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781566	376262833	/nfs/dbraw/zinc/26/28/33/376262833.db2.gz	WYXPHDPQXFNHKT-NSHDSACASA-N	0	3	262.397	3.266	40	10		CGCBHN
COCCNCc1cc(C)n(-c2cc(C)cc(C)c2)c1C	ZINC000223668822	376258287	/nfs/dbraw/zinc/25/82/87/376258287.db2.gz	LSKADCQVGUXRNL-UHFFFAOYSA-N	0	3	286.419	3.447	40	10		CGCBHN
CCNCc1cc2c(cc1OC)N(C)C(C)(C)C=C2C	ZINC000223800793	376262952	/nfs/dbraw/zinc/26/29/52/376262952.db2.gz	UACLVWOQRDQUJT-UHFFFAOYSA-N	0	3	274.408	3.436	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccc(C)c(C)c2)c1C	ZINC000223668233	376259391	/nfs/dbraw/zinc/25/93/91/376259391.db2.gz	PMFJFTBBWUCGCB-UHFFFAOYSA-N	0	3	286.419	3.447	40	10		CGCBHN
Cc1cc2oc(=O)cc(C)c2cc1Oc1ccc(N)cn1	ZINC000006412964	170199371	/nfs/dbraw/zinc/19/93/71/170199371.db2.gz	ZAAAMGXEZPTJDC-UHFFFAOYSA-N	0	3	282.299	3.179	40	10		CGCBHN
C[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000005159306	368561398	/nfs/dbraw/zinc/56/13/98/368561398.db2.gz	ADPVUBKUMMKOKD-PEYYIBSZSA-N	0	3	254.377	3.158	40	10		CGCBHN
COCCNCc1cc(C)n(-c2ccc(C)cc2)c1C	ZINC000113704339	392384498	/nfs/dbraw/zinc/38/44/98/392384498.db2.gz	NUWPXXSVUYFFGJ-UHFFFAOYSA-N	0	3	272.392	3.139	40	10		CGCBHN