smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)CN1CCC[N@@H+](C)CCN(C)CCC[NH+](C)CC1	ZINC000068605151	376263536	/nfs/dbraw/zinc/26/35/36/376263536.db2.gz	IDEOXDKOWVONCD-UHFFFAOYSA-N	2	1	327.517	-0.034	40	0		EBABMP
CN(C)C(=O)CN1CCC[NH+](C)CCN(C)CCC[N@H+](C)CC1	ZINC000068605151	376263540	/nfs/dbraw/zinc/26/35/40/376263540.db2.gz	IDEOXDKOWVONCD-UHFFFAOYSA-N	2	1	327.517	-0.034	40	0		EBABMP
CN(C)C(=O)CN1CCC[NH+](C)CCN(C)CCC[N@@H+](C)CC1	ZINC000068605151	376263544	/nfs/dbraw/zinc/26/35/44/376263544.db2.gz	IDEOXDKOWVONCD-UHFFFAOYSA-N	2	1	327.517	-0.034	40	0		EBABMP
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000262101958	154213730	/nfs/dbraw/zinc/21/37/30/154213730.db2.gz	DTWXPSBFLMBQGG-QPSCCSFWSA-N	2	1	338.452	-0.530	40	0		EBABMP
NC(=[NH2+])NC(=[NH2+])Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000005616289	375906701	/nfs/dbraw/zinc/90/67/01/375906701.db2.gz	HKEPGPNVTMOYEZ-UHFFFAOYSA-N	2	1	326.382	-0.463	40	0		EBABMP
CNC(=O)[C@@H]1CN(C(=O)CN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1	ZINC000257204474	536398597	/nfs/dbraw/zinc/39/85/97/536398597.db2.gz	AUTQCBZIHWWEAC-HNNXBMFYSA-N	2	1	339.484	-0.851	40	0		EBABMP
C[N@@H+](CC1CCN(C(=O)C(C)(C)[NH3+])CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288076	376524345	/nfs/dbraw/zinc/52/43/45/376524345.db2.gz	OXWRKNZRELHYGN-MCIONIFRSA-N	2	1	329.441	-0.985	40	0		EBABMP
Cn1cncc1C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585291161	376524158	/nfs/dbraw/zinc/52/41/58/376524158.db2.gz	MBAVKVFZSYHBLU-ZACQAIPSSA-N	2	1	338.452	-0.316	40	0		EBABMP
CNC(=O)[C@H]1CN(C(=O)CN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1	ZINC000257204475	244131165	/nfs/dbraw/zinc/13/11/65/244131165.db2.gz	AUTQCBZIHWWEAC-OAHLLOKOSA-N	2	1	339.484	-0.851	40	0		EBABMP
Cn1cc(C[NH+]2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585290993	376525163	/nfs/dbraw/zinc/52/51/63/376525163.db2.gz	KAFJTBWAMRQSNI-ZACQAIPSSA-N	2	1	338.452	-0.316	40	0		EBABMP
C[N@@H+](CCC(=O)N1CC[NH+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303898	/nfs/dbraw/zinc/30/38/98/419303898.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	2	1	333.436	-0.221	40	0		EBABMP
C[NH+](CCC(=O)N1CC[N@H+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303900	/nfs/dbraw/zinc/30/39/00/419303900.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	2	1	333.436	-0.221	40	0		EBABMP
C[NH+](CCC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303903	/nfs/dbraw/zinc/30/39/03/419303903.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	2	1	333.436	-0.221	40	0		EBABMP
Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CC[NH+](C)CC2)[C@H]1O	ZINC000020463868	212134534	/nfs/dbraw/zinc/13/45/34/212134534.db2.gz	UVNLNOCNJYUFFM-OVYGPGRDSA-N	2	1	336.436	-0.785	40	0	biogenic,in-vitro	EBABMP
C[N@@H+](CCC(=O)N1CC[NH+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303967	/nfs/dbraw/zinc/30/39/67/419303967.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	2	1	333.436	-0.221	40	0		EBABMP
C[NH+](CCC(=O)N1CC[N@H+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303970	/nfs/dbraw/zinc/30/39/70/419303970.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	2	1	333.436	-0.221	40	0		EBABMP
C[NH+](CCC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303973	/nfs/dbraw/zinc/30/39/73/419303973.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	2	1	333.436	-0.221	40	0		EBABMP
CN1CCC[N@@H+](CCC[NH3+])CCN(CCC[NH3+])CCC[NH+](C)CC1	ZINC000068605094	215320983	/nfs/dbraw/zinc/32/09/83/215320983.db2.gz	HNULCWUEHHFBJE-UHFFFAOYSA-N	4	1	342.576	-0.055	40	0		EBABMP
CN1CCC[NH+](CCC[NH3+])CCN(CCC[NH3+])CCC[N@H+](C)CC1	ZINC000068605094	215320987	/nfs/dbraw/zinc/32/09/87/215320987.db2.gz	HNULCWUEHHFBJE-UHFFFAOYSA-N	4	1	342.576	-0.055	40	0		EBABMP
CN1CCC[NH+](CCC[NH3+])CCN(CCC[NH3+])CCC[N@@H+](C)CC1	ZINC000068605094	215320988	/nfs/dbraw/zinc/32/09/88/215320988.db2.gz	HNULCWUEHHFBJE-UHFFFAOYSA-N	4	1	342.576	-0.055	40	0		EBABMP
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000262101955	154212910	/nfs/dbraw/zinc/21/29/10/154212910.db2.gz	DTWXPSBFLMBQGG-KBXIAJHMSA-N	2	1	338.452	-0.530	40	0		EBABMP
O=C(NC[C@H]1OC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1O)c1cccs1	ZINC000077264191	381191948	/nfs/dbraw/zinc/19/19/48/381191948.db2.gz	VDITVVSTXGJFLL-BZPMIXESSA-N	2	1	325.434	-0.052	40	0	biogenic,in-vitro	EBABMP
CNC(=O)C1([N@H+]2CCC[C@H]2C(=O)N(C)CC[NH+](C)C)CCOCC1	ZINC000096113125	290353347	/nfs/dbraw/zinc/35/33/47/290353347.db2.gz	HPBBSRYHHVJBMR-AWEZNQCLSA-N	2	1	340.468	-0.234	40	0	biogenic,in-vitro	EBABMP
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000262101962	154213424	/nfs/dbraw/zinc/21/34/24/154213424.db2.gz	DTWXPSBFLMBQGG-TUVASFSCSA-N	2	1	338.452	-0.530	40	0		EBABMP
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000262101951	154213480	/nfs/dbraw/zinc/21/34/80/154213480.db2.gz	DTWXPSBFLMBQGG-BARDWOONSA-N	2	1	338.452	-0.530	40	0		EBABMP