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)c1ccc(C[NH2+]Cc2ccn(CCF)n2)cc1	ZINC000256054891	190005224	/nfs/dbraw/zinc/00/52/24/190005224.db2.gz	YFGVTDJKGNRDFK-UHFFFAOYSA-N	1	1	276.359	2.208	40	10		CECBMO
[NH3+]C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000044527673	343474147	/nfs/dbraw/zinc/47/41/47/343474147.db2.gz	QKMAUYKLPGKCBF-SNVBAGLBSA-N	1	1	254.761	2.216	40	10		CECBMO
OC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000154610400	344435200	/nfs/dbraw/zinc/43/52/00/344435200.db2.gz	YQPRQICFKCGCTN-JTQLQIEISA-N	1	1	255.745	2.250	40	10		CECBMO
CCn1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)n1	ZINC000020351144	171156218	/nfs/dbraw/zinc/15/62/18/171156218.db2.gz	LXSPDYQJLPOPMT-UHFFFAOYSA-N	1	1	258.369	2.259	40	10		CECBMO
[NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1	ZINC000044511743	343473334	/nfs/dbraw/zinc/47/33/34/343473334.db2.gz	DTVMLEDSTVTOND-UHFFFAOYSA-N	1	1	254.761	2.216	40	10		CECBMO
[NH3+]C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000044527674	343474317	/nfs/dbraw/zinc/47/43/17/343474317.db2.gz	QKMAUYKLPGKCBF-JTQLQIEISA-N	1	1	254.761	2.216	40	10		CECBMO
OC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000154610514	344435443	/nfs/dbraw/zinc/43/54/43/344435443.db2.gz	YQPRQICFKCGCTN-SNVBAGLBSA-N	1	1	255.745	2.250	40	10		CECBMO
Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccccn1	ZINC000072397835	176395574	/nfs/dbraw/zinc/39/55/74/176395574.db2.gz	NXWCODSXGGBWTE-MRXNPFEDSA-N	1	1	285.391	2.446	40	10		CECBMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1	ZINC000072324624	176369811	/nfs/dbraw/zinc/36/98/11/176369811.db2.gz	XWYITMWUDZKIDE-RHSMWYFYSA-N	1	1	273.424	2.421	40	10		CECBMO
CN1CCc2cc([C@@H](CN)[NH+]3CCCCC3)ccc21	ZINC000034936242	361797039	/nfs/dbraw/zinc/79/70/39/361797039.db2.gz	GSYGCKALSIRLQO-MRXNPFEDSA-N	1	1	259.397	2.165	40	10		CECBMO
COc1ccccc1[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000003723131	361289119	/nfs/dbraw/zinc/28/91/19/361289119.db2.gz	DVLHYBOBPDUWGR-INIZCTEOSA-N	1	1	271.316	2.342	40	10		CECBMO
CC[NH+]1CCN(c2c(N)cc(OC)cc2Cl)CC1	ZINC000045886061	535743076	/nfs/dbraw/zinc/74/30/76/535743076.db2.gz	QJVHHISQYCUEKZ-UHFFFAOYSA-N	1	1	269.776	2.073	40	10		CECBMO
Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2	ZINC000072373670	176385123	/nfs/dbraw/zinc/38/51/23/176385123.db2.gz	UGQVAQPDDSOGLB-UHFFFAOYSA-N	1	1	298.390	2.115	40	10		CECBMO
Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(N(C)C)cc1)C2	ZINC000072373670	176385124	/nfs/dbraw/zinc/38/51/24/176385124.db2.gz	UGQVAQPDDSOGLB-UHFFFAOYSA-N	1	1	298.390	2.115	40	10		CECBMO
Cc1cc(C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1ccccn1	ZINC000072397834	176395504	/nfs/dbraw/zinc/39/55/04/176395504.db2.gz	NXWCODSXGGBWTE-INIZCTEOSA-N	1	1	285.391	2.446	40	10		CECBMO
Oc1cc2c(cc1O)[C@@H](c1ccccc1F)[NH2+]CC2	ZINC000019691372	361548491	/nfs/dbraw/zinc/54/84/91/361548491.db2.gz	QRXMUHPUSWCTPZ-OAHLLOKOSA-N	1	1	259.280	2.472	40	10		CECBMO
CCN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1	ZINC000072343614	176372291	/nfs/dbraw/zinc/37/22/91/176372291.db2.gz	YKGUKHQDHCHZKK-LBPRGKRZSA-N	1	1	284.363	2.153	40	10		CECBMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1	ZINC000072324626	363130386	/nfs/dbraw/zinc/13/03/86/363130386.db2.gz	XWYITMWUDZKIDE-PBHICJAKSA-N	1	1	273.424	2.421	40	10		CECBMO
Oc1cc2c(cc1O)[C@H](c1ccccc1F)[NH2+]CC2	ZINC000019691370	361546355	/nfs/dbraw/zinc/54/63/55/361546355.db2.gz	QRXMUHPUSWCTPZ-HNNXBMFYSA-N	1	1	259.280	2.472	40	10		CECBMO
Cc1[nH+]ccn1-c1cc(Nc2ccc(N)cc2)ncn1	ZINC000217506276	370196838	/nfs/dbraw/zinc/19/68/38/370196838.db2.gz	QTZUJXRMAWLCBL-UHFFFAOYSA-N	1	1	266.308	2.297	40	10		CECBMO
COc1ccccc1[C@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000003723132	277473125	/nfs/dbraw/zinc/47/31/25/277473125.db2.gz	DVLHYBOBPDUWGR-MRXNPFEDSA-N	1	1	271.316	2.342	40	10		CECBMO
[NH3+]CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1	ZINC000219451239	394460206	/nfs/dbraw/zinc/46/02/06/394460206.db2.gz	UCWKUOJWFIFRTE-UHFFFAOYSA-N	1	1	299.212	2.325	40	10		CECBMO
CCCC[N@@H+](Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575420158	539651443	/nfs/dbraw/zinc/65/14/43/539651443.db2.gz	GMFGSDGYWUTSMW-HNNXBMFYSA-N	1	1	296.436	2.058	40	10		CECBMO
CCOC(C[N@@H+](C)Cc1ccccc1O)OCC	ZINC000124946006	187162383	/nfs/dbraw/zinc/16/23/83/187162383.db2.gz	XBXQSPMMYFRAOZ-UHFFFAOYSA-N	1	1	253.342	2.223	40	10		CECBMO
OC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)c(F)c2)C1	ZINC000072398342	176396388	/nfs/dbraw/zinc/39/63/88/176396388.db2.gz	LZBXJDKIKKGMHH-CQSZACIVSA-N	1	1	278.371	2.240	40	10		CECBMO
COc1ccc(N2CC[NH+](Cc3ccnc(C)n3)CC2)cc1	ZINC000072397389	363132526	/nfs/dbraw/zinc/13/25/26/363132526.db2.gz	KSFZUSANVVPSQY-UHFFFAOYSA-N	1	1	298.390	2.116	40	10		CECBMO
CN1CCc2cc([C@H](CN)[NH+]3CCCCC3)ccc21	ZINC000034936243	361797644	/nfs/dbraw/zinc/79/76/44/361797644.db2.gz	GSYGCKALSIRLQO-INIZCTEOSA-N	1	1	259.397	2.165	40	10		CECBMO
C[C@@H](O)C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H](C)O	ZINC000001679457	394452584	/nfs/dbraw/zinc/45/25/84/394452584.db2.gz	GJVXIIDAOYGDNX-BETUJISGSA-N	1	1	289.375	2.109	40	10		CECBMO
Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)o1	ZINC000049169190	362343335	/nfs/dbraw/zinc/34/33/35/362343335.db2.gz	KMTGGJREFGOXGH-AWEZNQCLSA-N	1	1	286.379	2.434	40	10	biogenic,in-vitro	CECBMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1	ZINC000072324443	176369746	/nfs/dbraw/zinc/36/97/46/176369746.db2.gz	XWYITMWUDZKIDE-YOEHRIQHSA-N	1	1	273.424	2.421	40	10		CECBMO
Nc1ccc([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000056895843	362564247	/nfs/dbraw/zinc/56/42/47/362564247.db2.gz	JWWKHJDBUXNPRY-QWHCGFSZSA-N	1	1	281.359	2.054	40	10		CECBMO
Nc1ccc([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000056895843	362564255	/nfs/dbraw/zinc/56/42/55/362564255.db2.gz	JWWKHJDBUXNPRY-QWHCGFSZSA-N	1	1	281.359	2.054	40	10		CECBMO
Nc1ccc([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000056895844	362564401	/nfs/dbraw/zinc/56/44/01/362564401.db2.gz	JWWKHJDBUXNPRY-OLZOCXBDSA-N	1	1	281.359	2.054	40	10		CECBMO
Nc1ccc([N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000056895844	362564408	/nfs/dbraw/zinc/56/44/08/362564408.db2.gz	JWWKHJDBUXNPRY-OLZOCXBDSA-N	1	1	281.359	2.054	40	10		CECBMO
CCCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575420159	539651165	/nfs/dbraw/zinc/65/11/65/539651165.db2.gz	GMFGSDGYWUTSMW-OAHLLOKOSA-N	1	1	296.436	2.058	40	10		CECBMO
C[NH+](C)CCOc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000005574220	394458078	/nfs/dbraw/zinc/45/80/78/394458078.db2.gz	FJNIEHHQRGYTSQ-UHFFFAOYSA-N	1	1	295.338	2.402	40	10		CECBMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1	ZINC000072324442	176369539	/nfs/dbraw/zinc/36/95/39/176369539.db2.gz	XWYITMWUDZKIDE-WMLDXEAASA-N	1	1	273.424	2.421	40	10		CECBMO
CCN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccccc1	ZINC000072343613	176372221	/nfs/dbraw/zinc/37/22/21/176372221.db2.gz	YKGUKHQDHCHZKK-GFCCVEGCSA-N	1	1	284.363	2.153	40	10		CECBMO
CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(F)cc1O	ZINC000098210496	364537845	/nfs/dbraw/zinc/53/78/45/364537845.db2.gz	WTLSYDYDIJTESK-JTQLQIEISA-N	1	1	270.304	2.056	40	10		CECBMO
CC(C)(C)c1cc(Cl)c(O)c(C[NH2+]CCO)c1	ZINC000001706326	361218792	/nfs/dbraw/zinc/21/87/92/361218792.db2.gz	FOJIEXPSXCEXKD-UHFFFAOYSA-N	1	1	257.761	2.425	40	10		CECBMO
OC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)c(F)c2)C1	ZINC000072398341	176396497	/nfs/dbraw/zinc/39/64/97/176396497.db2.gz	LZBXJDKIKKGMHH-AWEZNQCLSA-N	1	1	278.371	2.240	40	10		CECBMO