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[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1	ZINC000225724102	370315304	/nfs/dbraw/zinc/31/53/04/370315304.db2.gz	KUXZOZIOFDEKIP-KRWDZBQOSA-N	1	3	279.472	2.443	50	30		CEEAHO
C=C[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1	ZINC000225724102	370315309	/nfs/dbraw/zinc/31/53/09/370315309.db2.gz	KUXZOZIOFDEKIP-KRWDZBQOSA-N	1	3	279.472	2.443	50	30		CEEAHO
C=CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1	ZINC000192738376	369849069	/nfs/dbraw/zinc/84/90/69/369849069.db2.gz	RUPLORVLUMKAEM-UHFFFAOYSA-N	1	3	279.472	2.301	50	30		CEEAHO
N=C(NC(N)=[NH2+])Nc1ccc(C2CCCCC2)cc1	ZINC000020459055	171208786	/nfs/dbraw/zinc/20/87/86/171208786.db2.gz	XWKTVIMBJHGVMR-UHFFFAOYSA-N	1	3	259.357	2.354	50	30		CEEAHO
C=CCc1cc(Cl)ccc1OCCCNCC[NH3+]	ZINC000022034397	171350195	/nfs/dbraw/zinc/35/01/95/171350195.db2.gz	ZYKASCSYTNRVNG-UHFFFAOYSA-N	1	3	268.788	2.386	50	30		CEEAHO
C[C@H](C1CCN(Cc2cc(C#N)n(C)c2)CC1)[NH+](C)C	ZINC000077452709	177270480	/nfs/dbraw/zinc/27/04/80/177270480.db2.gz	JSDWFFHFGBKDPZ-CYBMUJFWSA-N	1	3	274.412	2.059	50	30		CEEAHO
C=CCNC(=[NH2+])NCc1ccccc1CN(CC)CC	ZINC000058329362	518684656	/nfs/dbraw/zinc/68/46/56/518684656.db2.gz	UOVWQFNEUDNSEH-UHFFFAOYSA-N	1	3	274.412	2.119	50	30		CEEAHO
CCNC(N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)=[NH+]C	ZINC000221973360	370247907	/nfs/dbraw/zinc/24/79/07/370247907.db2.gz	RZILWKRTNRYSAR-GOEBONIOSA-N	1	3	288.439	2.224	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004785557	170017283	/nfs/dbraw/zinc/01/72/83/170017283.db2.gz	JHHJNTPRJIKLDL-LWHXSLQUSA-N	1	3	296.417	2.390	50	30		CEEAHO
C=C[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1	ZINC000225724079	370314493	/nfs/dbraw/zinc/31/44/93/370314493.db2.gz	KUXZOZIOFDEKIP-QGZVFWFLSA-N	1	3	279.472	2.443	50	30		CEEAHO
C=C[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1	ZINC000225724079	370314499	/nfs/dbraw/zinc/31/44/99/370314499.db2.gz	KUXZOZIOFDEKIP-QGZVFWFLSA-N	1	3	279.472	2.443	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccnc1	ZINC000000268296	361153812	/nfs/dbraw/zinc/15/38/12/361153812.db2.gz	MKDROKHEDALTEZ-IIBSKXHVSA-N	1	3	281.406	2.079	50	30		CEEAHO
CCNC(NCCCN(C)Cc1ccccc1)=[NH+]CC	ZINC000058157786	394564420	/nfs/dbraw/zinc/56/44/20/394564420.db2.gz	ZAOKEMMVRQOEHZ-UHFFFAOYSA-N	1	3	276.428	2.084	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccnc1	ZINC000000268299	361153972	/nfs/dbraw/zinc/15/39/72/361153972.db2.gz	MKDROKHEDALTEZ-SOOGHKCXSA-N	1	3	281.406	2.079	50	30		CEEAHO
N#Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000169783512	283139266	/nfs/dbraw/zinc/13/92/66/283139266.db2.gz	NQUCPOLKPQGXRI-QGZVFWFLSA-N	1	3	269.392	2.380	50	30		CEEAHO
C=CCC[C@@H](O)CN(C)C1CC[NH+](C(C)C)CC1	ZINC000095966193	185045233	/nfs/dbraw/zinc/04/52/33/185045233.db2.gz	VSQSUYOFOSFJTE-OAHLLOKOSA-N	1	3	254.418	2.118	50	30		CEEAHO
C=CCN1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1	ZINC000063845526	362776651	/nfs/dbraw/zinc/77/66/51/362776651.db2.gz	HSLHEHXODCUXRG-DLBZAZTESA-N	1	3	277.456	2.055	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000004785732	170017041	/nfs/dbraw/zinc/01/70/41/170017041.db2.gz	NMJLIPMUZUFODH-VAENJDROSA-N	1	3	270.379	2.277	50	30		CEEAHO
C=CCC(C)(C)C[NH+]1CCC2(CC1)CN(C)CCN2C	ZINC000067459716	518685693	/nfs/dbraw/zinc/68/56/93/518685693.db2.gz	UEOKFIAZEPQNQB-UHFFFAOYSA-N	1	3	279.472	2.301	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004785558	170016972	/nfs/dbraw/zinc/01/69/72/170016972.db2.gz	JHHJNTPRJIKLDL-SHLUWWQESA-N	1	3	296.417	2.390	50	30		CEEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000004785731	170017120	/nfs/dbraw/zinc/01/71/20/170017120.db2.gz	NMJLIPMUZUFODH-XSHGTHSTSA-N	1	3	270.379	2.277	50	30		CEEAHO
CN(C)Cc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1	ZINC000071847216	363116485	/nfs/dbraw/zinc/11/64/85/363116485.db2.gz	ZLBWMYOGQIVBLM-UHFFFAOYSA-N	1	3	288.439	2.485	50	30		CEEAHO
C[C@@H](C1CCN(Cc2cc(C#N)n(C)c2)CC1)[NH+](C)C	ZINC000077452706	177270593	/nfs/dbraw/zinc/27/05/93/177270593.db2.gz	JSDWFFHFGBKDPZ-ZDUSSCGKSA-N	1	3	274.412	2.059	50	30		CEEAHO
CN(C)C1(CNC(=[NH2+])Nc2ccccc2F)CCCC1	ZINC000069514437	524035104	/nfs/dbraw/zinc/03/51/04/524035104.db2.gz	RXQAUFICQKHMPP-UHFFFAOYSA-N	1	3	278.375	2.427	50	30		CEEAHO
N#Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1	ZINC000169783513	395089971	/nfs/dbraw/zinc/08/99/71/395089971.db2.gz	NQUCPOLKPQGXRI-KRWDZBQOSA-N	1	3	269.392	2.380	50	30		CEEAHO
Cc1[nH]c(CN2CCC[C@H](CC[NH+](C)C)C2)cc1C#N	ZINC000584889890	344999429	/nfs/dbraw/zinc/99/94/29/344999429.db2.gz	BIDCTQPYJXBURS-CQSZACIVSA-N	1	3	274.412	2.359	50	30		CEEAHO
Cc1[nH]c(CN2CCC[C@@H](CC[NH+](C)C)C2)cc1C#N	ZINC000584889889	344999611	/nfs/dbraw/zinc/99/96/11/344999611.db2.gz	BIDCTQPYJXBURS-AWEZNQCLSA-N	1	3	274.412	2.359	50	30		CEEAHO
C=CCC[C@H](O)CN(C)C1CC[NH+](C(C)C)CC1	ZINC000095966194	185045375	/nfs/dbraw/zinc/04/53/75/185045375.db2.gz	VSQSUYOFOSFJTE-HNNXBMFYSA-N	1	3	254.418	2.118	50	30		CEEAHO
CCCCCCCCCCNC1=[NH+]CCN1C1=NCCN1	ZINC000097973094	528122762	/nfs/dbraw/zinc/12/27/62/528122762.db2.gz	NOPZMUXOAIFRHF-UHFFFAOYSA-N	1	3	293.459	2.348	50	30		CEEAHO
CC[NH2+]CC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000113655947	364908191	/nfs/dbraw/zinc/90/81/91/364908191.db2.gz	QFTOWQYUUKMROR-UHFFFAOYSA-N	1	3	257.381	2.380	50	30		CEEAHO