smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCCCCC[N@@H+]1CCC[NH2+]CC1	ZINC000071978878	187276927	/nfs/dbraw/zinc/27/69/27/187276927.db2.gz	PYBRSVRELVUCGY-UHFFFAOYSA-N	2	0	209.337	1.756	40	30		BDEBRP
N#Cc1ccccc1CN1CCC[C@@H](C[NH3+])C1	ZINC000044529199	181146158	/nfs/dbraw/zinc/14/61/58/181146158.db2.gz	SARAOLAMOMSUJF-LBPRGKRZSA-N	2	0	229.327	1.729	40	30		BDEBRP
C=CCN1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1	ZINC000257208039	166355764	/nfs/dbraw/zinc/35/57/64/166355764.db2.gz	BKJWHUKWYBRIMO-ZDUSSCGKSA-N	2	0	247.342	1.483	40	30		BDEBRP
C[N+]1(CC#C[C@H]2CCC[N+](C)(C)C2)CCCC1	ZINC000001843148	386653287	/nfs/dbraw/zinc/65/32/87/386653287.db2.gz	XGESUNZYUPRXQD-OAHLLOKOSA-N	2	0	236.403	1.717	40	30		BDEBRP
C[N+]1(CC#CC[N+]2(C)CCCC2)CCCC1	ZINC000001571283	386640965	/nfs/dbraw/zinc/64/09/65/386640965.db2.gz	MMTWYGXILOQIHP-UHFFFAOYSA-N	2	0	222.376	1.471	40	30		BDEBRP
C[NH+](C)C[C@H]1CCC[C@H](C[NH+](C)C)C1=NO	ZINC000004791864	384081108	/nfs/dbraw/zinc/08/11/08/384081108.db2.gz	IHSMVZZFRAARSH-GHMZBOCLSA-N	2	0	227.352	1.356	40	30		BDEBRP
C[N+](C)(C)C[C@@H]1CC[C@@H](C[N+](C)(C)C)C1=NO	ZINC000005808827	384129631	/nfs/dbraw/zinc/12/96/31/384129631.db2.gz	AEHOIKJCKHOWRI-RYUDHWBXSA-O	2	0	243.395	1.255	40	30		BDEBRP
C=CCN1CCO[C@H](CCc2cc[nH+]c(N)c2)C1	ZINC000257208038	166358866	/nfs/dbraw/zinc/35/88/66/166358866.db2.gz	BKJWHUKWYBRIMO-CYBMUJFWSA-N	2	0	247.342	1.483	40	30		BDEBRP
N#Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1	ZINC000079439222	181109347	/nfs/dbraw/zinc/10/93/47/181109347.db2.gz	IXLABWAWHXNGCL-AWEZNQCLSA-N	2	0	229.327	1.647	40	30		BDEBRP
N#Cc1ccccc1CN1CCC[C@H](C[NH3+])C1	ZINC000044529198	181145398	/nfs/dbraw/zinc/14/53/98/181145398.db2.gz	SARAOLAMOMSUJF-GFCCVEGCSA-N	2	0	229.327	1.729	40	30		BDEBRP
CCNC(=[NH2+])NC(=[NH2+])Nc1ccc(C)cc1	ZINC000039110124	259312354	/nfs/dbraw/zinc/31/23/54/259312354.db2.gz	HKNZEGSMGHLSRL-UHFFFAOYSA-N	2	0	219.292	1.075	40	30		BDEBRP
C[N+](C)(C)CCC#CC[N+]1(C)CCCC1	ZINC000001571285	386642101	/nfs/dbraw/zinc/64/21/01/386642101.db2.gz	WGUJGPBOLBEKQO-UHFFFAOYSA-N	2	0	210.365	1.327	40	30		BDEBRP
Cc1cccc[n+]1CC(=O)C[n+]1ccccc1C	ZINC000001577752	179234833	/nfs/dbraw/zinc/23/48/33/179234833.db2.gz	PHOSWWGJPFCBGL-UHFFFAOYSA-N	2	0	242.322	1.148	40	30		BDEBRP
C(C#CC[NH+]1CCCCC1)#CC[NH+]1CCCCC1	ZINC000019205416	188059082	/nfs/dbraw/zinc/05/90/82/188059082.db2.gz	PGRHPTXXJJPIEP-UHFFFAOYSA-N	2	0	244.382	1.965	40	30		BDEBRP
CCCCCCCCCCNC(=[NH2+])NC(N)=[NH2+]	ZINC000001653025	342707066	/nfs/dbraw/zinc/70/70/66/342707066.db2.gz	HWEQLUZIUMZTIC-UHFFFAOYSA-N	2	0	241.383	1.925	40	30		BDEBRP
C=CC[NH2+]Cc1cc(O)c(C[NH2+]CC=C)cc1O	ZINC000001680947	386644970	/nfs/dbraw/zinc/64/49/70/386644970.db2.gz	XJVMQBXVPNEUHN-UHFFFAOYSA-N	2	0	248.326	1.649	40	30		BDEBRP
N#Cc1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC000100173884	383849814	/nfs/dbraw/zinc/84/98/14/383849814.db2.gz	VTFCSWLEKMNQEL-OKILXGFUSA-N	2	0	229.327	1.918	40	30		BDEBRP
C[N+]1(CC#C[C@@H]2CCC[N+](C)(C)C2)CCCC1	ZINC000004692027	386784709	/nfs/dbraw/zinc/78/47/09/386784709.db2.gz	XGESUNZYUPRXQD-HNNXBMFYSA-N	2	0	236.403	1.717	40	30		BDEBRP
N#Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000079439224	181108789	/nfs/dbraw/zinc/10/87/89/181108789.db2.gz	SMOBWRYKOORUPK-UHFFFAOYSA-N	2	0	229.327	1.647	40	30		BDEBRP
N#Cc1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC000242688576	187571266	/nfs/dbraw/zinc/57/12/66/187571266.db2.gz	VTFCSWLEKMNQEL-HDJSIYSDSA-N	2	0	229.327	1.918	40	30		BDEBRP
N#Cc1cccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)c1	ZINC000100809351	181138383	/nfs/dbraw/zinc/13/83/83/181138383.db2.gz	UQLBVNGVSJHJMO-OKILXGFUSA-N	2	0	229.327	1.918	40	30		BDEBRP
N#Cc1ccccc1C[NH+]1CCC(C[NH3+])CC1	ZINC000044513195	181145156	/nfs/dbraw/zinc/14/51/56/181145156.db2.gz	UXBPNBNYACSNIV-UHFFFAOYSA-N	2	0	229.327	1.729	40	30		BDEBRP
C[N+](C)(C)C[C@H]1CC[C@@H](C[N+](C)(C)C)C1=NO	ZINC000017210625	384481874	/nfs/dbraw/zinc/48/18/74/384481874.db2.gz	AEHOIKJCKHOWRI-TXEJJXNPSA-O	2	0	243.395	1.255	40	30		BDEBRP
C[NH+](C)C[C@H]1CCC[C@@H](C[NH+](C)C)C1=NO	ZINC000004791863	384081125	/nfs/dbraw/zinc/08/11/25/384081125.db2.gz	IHSMVZZFRAARSH-PHIMTYICSA-N	2	0	227.352	1.356	40	30		BDEBRP
C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1=NO	ZINC000004791865	384080508	/nfs/dbraw/zinc/08/05/08/384080508.db2.gz	IHSMVZZFRAARSH-QWRGUYRKSA-N	2	0	227.352	1.356	40	30		BDEBRP
CN(C)/C=[NH+]/C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000005065309	172352249	/nfs/dbraw/zinc/35/22/49/172352249.db2.gz	HCEHWAJHWRXUPR-UKTHLTGXSA-N	2	0	211.353	1.886	40	30		BDEBRP
N#Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1	ZINC000079439219	181108543	/nfs/dbraw/zinc/10/85/43/181108543.db2.gz	IXLABWAWHXNGCL-CQSZACIVSA-N	2	0	229.327	1.647	40	30		BDEBRP
C(#CC[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000001599822	166225828	/nfs/dbraw/zinc/22/58/28/166225828.db2.gz	IGBKLEILPKRTFQ-UHFFFAOYSA-N	2	0	220.360	1.962	40	30		BDEBRP
N#Cc1cccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)c1	ZINC000255190051	181138417	/nfs/dbraw/zinc/13/84/17/181138417.db2.gz	UQLBVNGVSJHJMO-HDJSIYSDSA-N	2	0	229.327	1.918	40	30		BDEBRP
CNC(=[NH2+])SCCCCSC(=[NH2+])NC	ZINC000001669497	383917576	/nfs/dbraw/zinc/91/75/76/383917576.db2.gz	HIUWLXBRFPVCAV-UHFFFAOYSA-N	2	0	234.394	1.332	40	30		BDEBRP
CN(C)/C=[NH+]\C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000017002757	172351527	/nfs/dbraw/zinc/35/15/27/172351527.db2.gz	HCEHWAJHWRXUPR-LCYFTJDESA-N	2	0	211.353	1.886	40	30		BDEBRP
CNC(=[NH2+])SCCCCCSC(=[NH2+])NC	ZINC000005833823	342770644	/nfs/dbraw/zinc/77/06/44/342770644.db2.gz	BRYNSSPARMKHBJ-UHFFFAOYSA-N	2	0	248.421	1.512	40	30		BDEBRP
C[N+](C)(C)C[C@H]1CC[C@H](C[N+](C)(C)C)C1=NO	ZINC000005808825	177486438	/nfs/dbraw/zinc/48/64/38/177486438.db2.gz	AEHOIKJCKHOWRI-VXGBXAGGSA-O	2	0	243.395	1.255	40	30		BDEBRP
C=C(C[n+]1ccc(N(C)C)cc1)[n+]1ccccc1	ZINC000005342443	980056382	/nfs/dbraw/zinc/05/63/82/980056382.db2.gz	VWYRAUQFDSUCKT-UHFFFAOYSA-N	2	0	241.338	1.499	40	30		BDEBRP