smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(CC[NH+]2CCOCC2)c1	ZINC000216919802	344090875	/nfs/dbraw/zinc/09/08/75/344090875.db2.gz	STVGAMITXUPOMZ-UHFFFAOYSA-N	1	1	221.300	1.570	50	70		BDIAMO
FCCCSCC[NH+]1CCOCC1	ZINC000159849948	191117646	/nfs/dbraw/zinc/11/76/46/191117646.db2.gz	KUBDBTVAXOWKMF-UHFFFAOYSA-N	1	1	207.314	1.411	50	70		BDIAMO
CC[N@@H+](Cc1ccc(CO)cc1)C(C)(C)CO	ZINC000160053097	353123524	/nfs/dbraw/zinc/12/35/24/353123524.db2.gz	LJMQUXPCXAVGLM-UHFFFAOYSA-N	1	1	237.343	1.772	50	70		BDIAMO
Cc1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1	ZINC000217411571	385883426	/nfs/dbraw/zinc/88/34/26/385883426.db2.gz	GMEVBTZDVBCRCS-NEPJUHHUSA-N	1	1	232.331	1.824	50	70		BDIAMO
C[C@@H]1C[N@H+](CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252311	355760328	/nfs/dbraw/zinc/76/03/28/355760328.db2.gz	SYWKBMZZNCWIDO-SNVBAGLBSA-N	1	1	244.335	1.184	50	70		BDIAMO
C[C@@H]1C[N@@H+](CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252311	355760330	/nfs/dbraw/zinc/76/03/30/355760330.db2.gz	SYWKBMZZNCWIDO-SNVBAGLBSA-N	1	1	244.335	1.184	50	70		BDIAMO
C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(F)(F)F)C1	ZINC000217851697	388574120	/nfs/dbraw/zinc/57/41/20/388574120.db2.gz	CXDKRRJBNWRLPC-RNFRBKRXSA-N	1	1	224.226	1.135	50	70		BDIAMO
C[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(F)(F)F)C1	ZINC000217851697	388574124	/nfs/dbraw/zinc/57/41/24/388574124.db2.gz	CXDKRRJBNWRLPC-RNFRBKRXSA-N	1	1	224.226	1.135	50	70		BDIAMO
Cc1ccnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1	ZINC000217411639	385883338	/nfs/dbraw/zinc/88/33/38/385883338.db2.gz	GMEVBTZDVBCRCS-RYUDHWBXSA-N	1	1	232.331	1.824	50	70		BDIAMO
C/C=C(\C)C[N@H+]1CCCn2nc(CO)cc2C1	ZINC000217673425	188179298	/nfs/dbraw/zinc/17/92/98/188179298.db2.gz	WVSLMYNZKSUIJQ-QDEBKDIKSA-N	1	1	235.331	1.547	50	70		BDIAMO
CC(C)c1cc(=O)n(Cc2[nH+]ccn2C)cn1	ZINC000160744534	387513498	/nfs/dbraw/zinc/51/34/98/387513498.db2.gz	RASRUEBAZLQKQQ-UHFFFAOYSA-N	1	1	232.287	1.149	50	70		BDIAMO
COC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)nc1	ZINC000217068667	488029329	/nfs/dbraw/zinc/02/93/29/488029329.db2.gz	MAFWJTLLCZIKFR-ZDUSSCGKSA-N	1	1	249.358	1.758	50	70		BDIAMO
CCC[NH2+]CCNC[C@H]1CCCOC1	ZINC000161344730	169259528	/nfs/dbraw/zinc/25/95/28/169259528.db2.gz	IGUAKEWMJUGSIW-LLVKDONJSA-N	1	1	200.326	1.002	50	70		BDIAMO
CCCNCC[NH2+]C[C@H]1CCCOC1	ZINC000161344730	169259531	/nfs/dbraw/zinc/25/95/31/169259531.db2.gz	IGUAKEWMJUGSIW-LLVKDONJSA-N	1	1	200.326	1.002	50	70		BDIAMO
CC[N@@H+](Cc1ccc(OC)nc1)C(C)(C)CO	ZINC000159724056	350985984	/nfs/dbraw/zinc/98/59/84/350985984.db2.gz	BYSXXJNKJLIPRH-UHFFFAOYSA-N	1	1	238.331	1.683	50	70		BDIAMO
Cc1nc(N[C@@H]2C[C@@H]3OCC[C@H]23)c(C)c(C)[nH+]1	ZINC000216946811	179909044	/nfs/dbraw/zinc/90/90/44/179909044.db2.gz	HCMLXGQHKQNSAS-UTUOFQBUSA-N	1	1	233.315	1.991	50	70		BDIAMO
C[N@H+]1CCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC000217002626	173175687	/nfs/dbraw/zinc/17/56/87/173175687.db2.gz	RQDGLNYZJNMCED-CQSZACIVSA-N	1	1	243.310	1.410	50	70		BDIAMO
COC(C[N@H+]1CCC2(CCCC2)C1)OC	ZINC000161318296	388551677	/nfs/dbraw/zinc/55/16/77/388551677.db2.gz	GOESAAGZTNRBKN-UHFFFAOYSA-N	1	1	213.321	1.871	50	70		BDIAMO
C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(F)(F)F)C1	ZINC000217851596	388573885	/nfs/dbraw/zinc/57/38/85/388573885.db2.gz	CXDKRRJBNWRLPC-NKWVEPMBSA-N	1	1	224.226	1.135	50	70		BDIAMO
C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(F)(F)F)C1	ZINC000217851596	388573887	/nfs/dbraw/zinc/57/38/87/388573887.db2.gz	CXDKRRJBNWRLPC-NKWVEPMBSA-N	1	1	224.226	1.135	50	70		BDIAMO
C[N@H+]1CCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC000217002613	173175644	/nfs/dbraw/zinc/17/56/44/173175644.db2.gz	RQDGLNYZJNMCED-AWEZNQCLSA-N	1	1	243.310	1.410	50	70		BDIAMO
Cc1nnc(Cn2c[nH+]c3c2CCCC3)o1	ZINC000160722003	387110602	/nfs/dbraw/zinc/11/06/02/387110602.db2.gz	XDQFMCBGFMVAIP-UHFFFAOYSA-N	1	1	218.260	1.502	50	70		BDIAMO
CC(C)Cc1cc(C[N@H+]2CCC[C@H]2CO)[nH]n1	ZINC000218748599	191131990	/nfs/dbraw/zinc/13/19/90/191131990.db2.gz	PIBOVFKUMDVPLT-ZDUSSCGKSA-N	1	1	237.347	1.565	50	70		BDIAMO
C[C@H]1C[N@H+](CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252439	355760478	/nfs/dbraw/zinc/76/04/78/355760478.db2.gz	SYWKBMZZNCWIDO-JTQLQIEISA-N	1	1	244.335	1.184	50	70		BDIAMO
C[C@H]1C[N@@H+](CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252439	355760480	/nfs/dbraw/zinc/76/04/80/355760480.db2.gz	SYWKBMZZNCWIDO-JTQLQIEISA-N	1	1	244.335	1.184	50	70		BDIAMO
Cc1noc(C)c1CNc1nc(N(C)C)cc[nH+]1	ZINC000160474075	387096765	/nfs/dbraw/zinc/09/67/65/387096765.db2.gz	OQCASCOXNVKQSH-UHFFFAOYSA-N	1	1	247.302	1.760	50	70		BDIAMO
CCC[NH2+]CCNC[C@@H]1CCCOC1	ZINC000161344621	169258956	/nfs/dbraw/zinc/25/89/56/169258956.db2.gz	IGUAKEWMJUGSIW-NSHDSACASA-N	1	1	200.326	1.002	50	70		BDIAMO
CCCNCC[NH2+]C[C@@H]1CCCOC1	ZINC000161344621	169258957	/nfs/dbraw/zinc/25/89/57/169258957.db2.gz	IGUAKEWMJUGSIW-NSHDSACASA-N	1	1	200.326	1.002	50	70		BDIAMO