smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)CC1	ZINC000172135025	524128615	/nfs/dbraw/zinc/12/86/15/524128615.db2.gz	JGMMFVHTMGTIOL-GOSISDBHSA-N	2	0	352.523	1.779	10	30		FDEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1	ZINC000262792687	672850396	/nfs/dbraw/zinc/85/03/96/672850396.db2.gz	ONOMFPLWPRENBK-AWEZNQCLSA-N	2	0	350.429	1.872	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000106125571	525621484	/nfs/dbraw/zinc/62/14/84/525621484.db2.gz	DDROXTVWIZDLJO-LPHOPBHVSA-N	2	0	361.486	1.323	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000247808124	537151472	/nfs/dbraw/zinc/15/14/72/537151472.db2.gz	UAFQJZSXUPBLNH-IAGOWNOFSA-N	2	0	364.534	1.742	10	30		FDEERP
NC(=[NH2+])NCCCCCCCCCC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026732372	519134403	/nfs/dbraw/zinc/13/44/03/519134403.db2.gz	GPPMSITUQZUCDJ-UHFFFAOYSA-N	3	0	356.559	1.215	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261969810	672704384	/nfs/dbraw/zinc/70/43/84/672704384.db2.gz	MMTHSEJOMCXFJM-GJZGRUSLSA-N	2	0	364.925	1.963	10	30		FDEERP
N#Cc1cnc(Nc2cc(NCC3CC[NH2+]CC3)c(CCCO)c[nH+]2)cn1	ZINC000098178696	525210625	/nfs/dbraw/zinc/21/06/25/525210625.db2.gz	ARCKEDFLGKMUNT-UHFFFAOYSA-N	2	0	367.457	1.823	10	30		FDEERP
C#CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247805651	537151050	/nfs/dbraw/zinc/15/10/50/537151050.db2.gz	SNYNJEAPSAWJPP-FXAWDEMLSA-N	2	0	357.498	1.502	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1	ZINC000181719957	525905122	/nfs/dbraw/zinc/90/51/22/525905122.db2.gz	ASGNKANYQRZOGK-KRWDZBQOSA-N	2	0	366.550	1.761	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1	ZINC000106125288	525618385	/nfs/dbraw/zinc/61/83/85/525618385.db2.gz	ZGEZLKITMFPYDN-MRXNPFEDSA-N	2	0	358.486	1.911	10	30		FDEERP
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261954650	672700926	/nfs/dbraw/zinc/70/09/26/672700926.db2.gz	ILJSQYIYWVKDSK-WCQYABFASA-N	2	0	360.428	1.833	10	30		FDEERP
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261662403	672646002	/nfs/dbraw/zinc/64/60/02/672646002.db2.gz	AVKMINCUTZUPST-JKSUJKDBSA-N	2	0	351.539	1.529	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)CC1	ZINC000091855004	524800494	/nfs/dbraw/zinc/80/04/94/524800494.db2.gz	MTIYVQGOYXYITJ-LJQANCHMSA-N	2	0	363.550	1.448	10	30		FDEERP
C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262007777	672711122	/nfs/dbraw/zinc/71/11/22/672711122.db2.gz	WBFAFJAJULAROL-NVXWUHKLSA-N	2	0	363.575	2.000	10	30		FDEERP
CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(c2nc(CC)ns2)CC1	ZINC000153154808	671896406	/nfs/dbraw/zinc/89/64/06/671896406.db2.gz	GRGLBFCGTVJCKE-CQSZACIVSA-N	2	0	365.551	1.282	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC1	ZINC000248449460	672534468	/nfs/dbraw/zinc/53/44/68/672534468.db2.gz	FBBCQQRBQCQAIB-WMZOPIPTSA-N	2	0	352.523	1.514	10	30		FDEERP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)NC[C@@H]1C[NH+]2CCN1CC2	ZINC000262790788	672850140	/nfs/dbraw/zinc/85/01/40/672850140.db2.gz	NUBAYHCRYMLERU-YMAMQOFZSA-N	2	0	361.456	1.520	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000106126649	525620907	/nfs/dbraw/zinc/62/09/07/525620907.db2.gz	AIOYWUCEDRKAGF-CVEARBPZSA-N	2	0	358.486	1.910	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1	ZINC000181721941	525904804	/nfs/dbraw/zinc/90/48/04/525904804.db2.gz	QUJJMORQDJWSRP-MRXNPFEDSA-N	2	0	352.523	1.371	10	30		FDEERP
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245645612	672456087	/nfs/dbraw/zinc/45/60/87/672456087.db2.gz	TVBMSHJUWBXESR-CRAIPNDOSA-N	2	0	351.539	1.529	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(c2nc(CC)ns2)CC1	ZINC000153154707	671896470	/nfs/dbraw/zinc/89/64/70/671896470.db2.gz	GRGLBFCGTVJCKE-AWEZNQCLSA-N	2	0	365.551	1.282	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000106125443	525620480	/nfs/dbraw/zinc/62/04/80/525620480.db2.gz	UAFQJZSXUPBLNH-SJORKVTESA-N	2	0	364.534	1.742	10	30		FDEERP
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248650346	537201430	/nfs/dbraw/zinc/20/14/30/537201430.db2.gz	MATSDXINJMIBJB-WBVHZDCISA-N	2	0	359.474	1.236	10	30		FDEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261816239	672676883	/nfs/dbraw/zinc/67/68/83/672676883.db2.gz	TXXPYYAAHONUAF-CYBMUJFWSA-N	2	0	356.312	1.889	10	30		FDEERP
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248650343	537201568	/nfs/dbraw/zinc/20/15/68/537201568.db2.gz	MATSDXINJMIBJB-RDJZCZTQSA-N	2	0	359.474	1.236	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)CC1	ZINC000248449458	672534480	/nfs/dbraw/zinc/53/44/80/672534480.db2.gz	FBBCQQRBQCQAIB-FUHWJXTLSA-N	2	0	352.523	1.514	10	30		FDEERP
COc1cc(C#N)ccc1OCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000157961039	524375124	/nfs/dbraw/zinc/37/51/24/524375124.db2.gz	VDOSGIYDKIWOHH-MRXNPFEDSA-N	2	0	361.486	1.970	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1	ZINC000117493456	525353016	/nfs/dbraw/zinc/35/30/16/525353016.db2.gz	DVFKWXDDLSTUOU-SFHVURJKSA-N	2	0	352.523	1.779	10	30		FDEERP
N#Cc1ccc(C[NH+]2CCC(NC[C@H](O)C[NH+]3CCCCC3)CC2)cc1	ZINC000181559240	174231929	/nfs/dbraw/zinc/23/19/29/174231929.db2.gz	XODCWOYFXWCFIO-NRFANRHFSA-N	2	0	356.514	1.959	10	30		FDEERP
C[NH+]=C(NC[C@H]1CCCN1CC(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261990113	672707468	/nfs/dbraw/zinc/70/74/68/672707468.db2.gz	RDCIISBARJFSJP-OAHLLOKOSA-N	2	0	358.552	1.191	10	30		FDEERP
C[NH+]=C(NC[C@@H](O)C(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1	ZINC000262792689	672850374	/nfs/dbraw/zinc/85/03/74/672850374.db2.gz	ONOMFPLWPRENBK-CQSZACIVSA-N	2	0	350.429	1.872	10	30		FDEERP
C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261662400	672645901	/nfs/dbraw/zinc/64/59/01/672645901.db2.gz	AVKMINCUTZUPST-HZPDHXFCSA-N	2	0	351.539	1.529	10	30		FDEERP
C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)CCC#N	ZINC000107304093	525863563	/nfs/dbraw/zinc/86/35/63/525863563.db2.gz	REXOFMHRLDMYIU-YLJYHZDGSA-N	2	0	372.513	1.782	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261824451	672678986	/nfs/dbraw/zinc/67/89/86/672678986.db2.gz	UVMUYXVIORIVHC-KGLIPLIRSA-N	2	0	350.898	1.573	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1	ZINC000089961221	524561500	/nfs/dbraw/zinc/56/15/00/524561500.db2.gz	SCVBFJVCPLRKKC-VQTJNVASSA-N	2	0	355.482	1.083	10	30		FDEERP
C#CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127601	525620274	/nfs/dbraw/zinc/62/02/74/525620274.db2.gz	SNYNJEAPSAWJPP-PXNSSMCTSA-N	2	0	357.498	1.502	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1	ZINC000171760841	526110363	/nfs/dbraw/zinc/11/03/63/526110363.db2.gz	TWTGXOIOZUOMDI-UHFFFAOYSA-N	2	0	374.533	1.639	10	30		FDEERP
C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247805653	537150743	/nfs/dbraw/zinc/15/07/43/537150743.db2.gz	SNYNJEAPSAWJPP-YLJYHZDGSA-N	2	0	357.498	1.502	10	30		FDEERP
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000247808120	537151510	/nfs/dbraw/zinc/15/15/10/537151510.db2.gz	UAFQJZSXUPBLNH-DLBZAZTESA-N	2	0	364.534	1.742	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000261999759	672709264	/nfs/dbraw/zinc/70/92/64/672709264.db2.gz	PVNUFFCXFXVFIM-RRFJBIMHSA-N	2	0	361.456	1.662	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1	ZINC000089961219	524562436	/nfs/dbraw/zinc/56/24/36/524562436.db2.gz	SCVBFJVCPLRKKC-PMACEKPBSA-N	2	0	355.482	1.083	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000261652924	672643514	/nfs/dbraw/zinc/64/35/14/672643514.db2.gz	FEYMGDVSLHDZFS-FUHWJXTLSA-N	2	0	352.523	1.706	10	30		FDEERP
C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000262007772	672710939	/nfs/dbraw/zinc/71/09/39/672710939.db2.gz	WBFAFJAJULAROL-DOTOQJQBSA-N	2	0	363.575	2.000	10	30		FDEERP
COc1cc(C#N)ccc1OCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000157960905	524375156	/nfs/dbraw/zinc/37/51/56/524375156.db2.gz	VDOSGIYDKIWOHH-INIZCTEOSA-N	2	0	361.486	1.970	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000106126647	525622106	/nfs/dbraw/zinc/62/21/06/525622106.db2.gz	AIOYWUCEDRKAGF-HOTGVXAUSA-N	2	0	358.486	1.910	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000261652937	672643526	/nfs/dbraw/zinc/64/35/26/672643526.db2.gz	FEYMGDVSLHDZFS-WMZOPIPTSA-N	2	0	352.523	1.706	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000247542399	537131862	/nfs/dbraw/zinc/13/18/62/537131862.db2.gz	DDROXTVWIZDLJO-VQIMIIECSA-N	2	0	361.486	1.323	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190578805	537179403	/nfs/dbraw/zinc/17/94/03/537179403.db2.gz	ALDSUUHFXRCTQM-LJQANCHMSA-N	2	0	354.498	1.707	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261969804	672704429	/nfs/dbraw/zinc/70/44/29/672704429.db2.gz	MMTHSEJOMCXFJM-CABCVRRESA-N	2	0	364.925	1.963	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1	ZINC000089961220	524562737	/nfs/dbraw/zinc/56/27/37/524562737.db2.gz	SCVBFJVCPLRKKC-UXHICEINSA-N	2	0	355.482	1.083	10	30		FDEERP
CC[NH+]=C(NC[C@H]1CCCN1CC(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158621502	671981762	/nfs/dbraw/zinc/98/17/62/671981762.db2.gz	VZXHGSUFKGFHAO-MRXNPFEDSA-N	2	0	372.579	1.581	10	30		FDEERP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000262790787	672850392	/nfs/dbraw/zinc/85/03/92/672850392.db2.gz	NUBAYHCRYMLERU-NRXISQOPSA-N	2	0	361.456	1.520	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1	ZINC000181719978	525905539	/nfs/dbraw/zinc/90/55/39/525905539.db2.gz	ASGNKANYQRZOGK-QGZVFWFLSA-N	2	0	366.550	1.761	10	30		FDEERP
CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCC(C(F)(F)F)CC1	ZINC000261716339	672657532	/nfs/dbraw/zinc/65/75/32/672657532.db2.gz	DWYRAWWBNDLVID-NRXISQOPSA-N	2	0	361.456	1.662	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000261818841	672677300	/nfs/dbraw/zinc/67/73/00/672677300.db2.gz	UGFYURITDBENJJ-KBPBESRZSA-N	2	0	351.445	1.803	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000261818843	672677555	/nfs/dbraw/zinc/67/75/55/672677555.db2.gz	UGFYURITDBENJJ-KGLIPLIRSA-N	2	0	351.445	1.803	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000261999758	672709343	/nfs/dbraw/zinc/70/93/43/672709343.db2.gz	PVNUFFCXFXVFIM-RBSFLKMASA-N	2	0	361.456	1.662	10	30		FDEERP
CC[NH+]=C(NC[C@H](C)N1CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262435566	672789067	/nfs/dbraw/zinc/78/90/67/672789067.db2.gz	GHZFFUAABHAZGG-ROUUACIJSA-N	2	0	351.539	1.233	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOCC)[C@@H](CC)C2)CC1	ZINC000172135029	524128460	/nfs/dbraw/zinc/12/84/60/524128460.db2.gz	JGMMFVHTMGTIOL-SFHVURJKSA-N	2	0	352.523	1.779	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000246916259	537051161	/nfs/dbraw/zinc/05/11/61/537051161.db2.gz	AIOYWUCEDRKAGF-HZPDHXFCSA-N	2	0	358.486	1.910	10	30		FDEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156178920	671951668	/nfs/dbraw/zinc/95/16/68/671951668.db2.gz	GXWOLKVEYAUIJW-OAHLLOKOSA-N	2	0	351.445	1.756	10	30		FDEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NCC1(N2CCOCC2)CCCCC1	ZINC000263077083	672861063	/nfs/dbraw/zinc/86/10/63/672861063.db2.gz	CPFFZOSIWUDDEN-QGZVFWFLSA-N	2	0	351.539	1.281	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261816242	672677047	/nfs/dbraw/zinc/67/70/47/672677047.db2.gz	TXXPYYAAHONUAF-ZDUSSCGKSA-N	2	0	356.312	1.889	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000247542396	537131956	/nfs/dbraw/zinc/13/19/56/537131956.db2.gz	DDROXTVWIZDLJO-QFBILLFUSA-N	2	0	361.486	1.323	10	30		FDEERP
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)C1	ZINC000262316933	672767986	/nfs/dbraw/zinc/76/79/86/672767986.db2.gz	QWJIMFKVGJCHBP-NVXWUHKLSA-N	2	0	351.539	1.671	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1	ZINC000089961222	524561881	/nfs/dbraw/zinc/56/18/81/524561881.db2.gz	SCVBFJVCPLRKKC-WOJBJXKFSA-N	2	0	355.482	1.083	10	30		FDEERP
C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127604	525620995	/nfs/dbraw/zinc/62/09/95/525620995.db2.gz	SNYNJEAPSAWJPP-XLIONFOSSA-N	2	0	357.498	1.502	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)CC1	ZINC000117493452	525351800	/nfs/dbraw/zinc/35/18/00/525351800.db2.gz	DVFKWXDDLSTUOU-GOSISDBHSA-N	2	0	352.523	1.779	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000106125439	525621503	/nfs/dbraw/zinc/62/15/03/525621503.db2.gz	UAFQJZSXUPBLNH-IRXDYDNUSA-N	2	0	364.534	1.742	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190578781	537179220	/nfs/dbraw/zinc/17/92/20/537179220.db2.gz	ALDSUUHFXRCTQM-IBGZPJMESA-N	2	0	354.498	1.707	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H](C)c1ccc(F)cc1F	ZINC000262777901	672847943	/nfs/dbraw/zinc/84/79/43/672847943.db2.gz	KACDGHKOXORVEK-UKRRQHHQSA-N	2	0	351.445	1.581	10	30		FDEERP
N#Cc1ccc(C[NH+]2CCC(NC[C@@H](O)C[NH+]3CCCCC3)CC2)cc1	ZINC000181559258	174232100	/nfs/dbraw/zinc/23/21/00/174232100.db2.gz	XODCWOYFXWCFIO-OAQYLSRUSA-N	2	0	356.514	1.959	10	30		FDEERP
CC[NH+]=C(NC[C@H](C)N1CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262435567	672789235	/nfs/dbraw/zinc/78/92/35/672789235.db2.gz	GHZFFUAABHAZGG-ZWKOTPCHSA-N	2	0	351.539	1.233	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2sccc2C#N)CC1	ZINC000106126435	525622015	/nfs/dbraw/zinc/62/20/15/525622015.db2.gz	KNIGBSNHEZCXOY-CQSZACIVSA-N	2	0	364.515	1.973	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1	ZINC000181721920	525906493	/nfs/dbraw/zinc/90/64/93/525906493.db2.gz	QUJJMORQDJWSRP-INIZCTEOSA-N	2	0	352.523	1.371	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(c2cc(F)ccc2F)CC1	ZINC000156178788	671951766	/nfs/dbraw/zinc/95/17/66/671951766.db2.gz	GXWOLKVEYAUIJW-HNNXBMFYSA-N	2	0	351.445	1.756	10	30		FDEERP
C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261954647	672701013	/nfs/dbraw/zinc/70/10/13/672701013.db2.gz	ILJSQYIYWVKDSK-DGCLKSJQSA-N	2	0	360.428	1.833	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2sccc2C#N)CC1	ZINC000106126432	525622091	/nfs/dbraw/zinc/62/20/91/525622091.db2.gz	KNIGBSNHEZCXOY-AWEZNQCLSA-N	2	0	364.515	1.973	10	30		FDEERP
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158390131	671979352	/nfs/dbraw/zinc/97/93/52/671979352.db2.gz	TVBMSHJUWBXESR-MAUKXSAKSA-N	2	0	351.539	1.529	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1	ZINC000181720218	525906432	/nfs/dbraw/zinc/90/64/32/525906432.db2.gz	FBBCQQRBQCQAIB-AEFFLSMTSA-N	2	0	352.523	1.514	10	30		FDEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)CC1	ZINC000181720195	525905647	/nfs/dbraw/zinc/90/56/47/525905647.db2.gz	FBBCQQRBQCQAIB-SJLPKXTDSA-N	2	0	352.523	1.514	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NCC1(N2CCOCC2)CCCCC1	ZINC000263077072	672861116	/nfs/dbraw/zinc/86/11/16/672861116.db2.gz	CPFFZOSIWUDDEN-KRWDZBQOSA-N	2	0	351.539	1.281	10	30		FDEERP
C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC1	ZINC000114413949	524793783	/nfs/dbraw/zinc/79/37/83/524793783.db2.gz	DGALFRPIIVTYAA-UHFFFAOYSA-N	2	0	369.513	1.137	10	30		FDEERP
C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)N(C)CCC#N	ZINC000107304087	525864740	/nfs/dbraw/zinc/86/47/40/525864740.db2.gz	REXOFMHRLDMYIU-XLIONFOSSA-N	2	0	372.513	1.782	10	30		FDEERP
C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)CCC#N	ZINC000107304090	525864999	/nfs/dbraw/zinc/86/49/99/525864999.db2.gz	REXOFMHRLDMYIU-FXAWDEMLSA-N	2	0	372.513	1.782	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCC(C(F)(F)F)CC1	ZINC000261716343	672657560	/nfs/dbraw/zinc/65/75/60/672657560.db2.gz	DWYRAWWBNDLVID-YMAMQOFZSA-N	2	0	361.456	1.662	10	30		FDEERP
C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)N(C)CCC#N	ZINC000107304085	525864413	/nfs/dbraw/zinc/86/44/13/525864413.db2.gz	REXOFMHRLDMYIU-PXNSSMCTSA-N	2	0	372.513	1.782	10	30		FDEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H](C)c1ccc(F)cc1F	ZINC000262777896	672847846	/nfs/dbraw/zinc/84/78/46/672847846.db2.gz	KACDGHKOXORVEK-DZGCQCFKSA-N	2	0	351.445	1.581	10	30		FDEERP
CCCCCCCCS(=O)(=O)NCCC[NH2+]CCCNCCC[NH3+]	ZINC000044018393	521918508	/nfs/dbraw/zinc/91/85/08/521918508.db2.gz	WBLSMEZHJYMGGJ-UHFFFAOYSA-N	2	0	364.600	1.575	10	30		FDEERP
C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)CC1	ZINC000091855005	524800942	/nfs/dbraw/zinc/80/09/42/524800942.db2.gz	MTIYVQGOYXYITJ-IBGZPJMESA-N	2	0	363.550	1.448	10	30		FDEERP
[NH2+]=C(NCc1nnc2ccccn21)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000263259707	537003404	/nfs/dbraw/zinc/00/34/04/537003404.db2.gz	SDZNLICCLIHOBB-UHFFFAOYSA-N	2	0	363.469	1.798	10	30		FDEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1	ZINC000106125286	525615893	/nfs/dbraw/zinc/61/58/93/525615893.db2.gz	ZGEZLKITMFPYDN-INIZCTEOSA-N	2	0	358.486	1.911	10	30		FDEERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)C1	ZINC000262316937	672767924	/nfs/dbraw/zinc/76/79/24/672767924.db2.gz	QWJIMFKVGJCHBP-WBVHZDCISA-N	2	0	351.539	1.671	10	30		FDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261824448	672679006	/nfs/dbraw/zinc/67/90/06/672679006.db2.gz	UVMUYXVIORIVHC-KBPBESRZSA-N	2	0	350.898	1.573	10	30		FDEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000106125576	525621843	/nfs/dbraw/zinc/62/18/43/525621843.db2.gz	DDROXTVWIZDLJO-APWZRJJASA-N	2	0	361.486	1.323	10	30		FDEERP
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000246916287	537051250	/nfs/dbraw/zinc/05/12/50/537051250.db2.gz	AIOYWUCEDRKAGF-JKSUJKDBSA-N	2	0	358.486	1.910	10	30		FDEERP