smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cc1C[NH+]1CCCC1	ZINC000072146484	541787821	/nfs/dbraw/zinc/78/78/21/541787821.db2.gz	XPFAUZSEEIEZRF-UHFFFAOYSA-N	2	0	363.465	2.453	50	30		FEEARP
C=CC[NH+](CC=C)Cc1cccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020781977	539677662	/nfs/dbraw/zinc/67/76/62/539677662.db2.gz	WBIANEFNEFUAPP-NRFANRHFSA-N	2	0	373.541	2.238	50	30		FEEARP
C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1	ZINC000072407274	541805595	/nfs/dbraw/zinc/80/55/95/541805595.db2.gz	HFKHXUYJBWYAEQ-PKOBYXMFSA-N	2	0	357.498	2.413	50	30		FEEARP
C=CC[NH+](CC=C)Cc1cccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020781974	206747734	/nfs/dbraw/zinc/74/77/34/206747734.db2.gz	WBIANEFNEFUAPP-OAQYLSRUSA-N	2	0	373.541	2.238	50	30		FEEARP
C=C(C)C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000014979911	670010202	/nfs/dbraw/zinc/01/02/02/670010202.db2.gz	UKPPGXQDOWGLKD-QGZVFWFLSA-N	2	0	366.527	2.149	50	30		FEEARP
C=CC[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000095501699	210085634	/nfs/dbraw/zinc/08/56/34/210085634.db2.gz	NMLLWACBHFKCNG-QGZVFWFLSA-N	2	0	366.527	2.102	50	30		FEEARP
C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000030660960	533197309	/nfs/dbraw/zinc/19/73/09/533197309.db2.gz	UHGUBVSNZKQOAM-UHFFFAOYSA-N	2	0	350.466	2.135	50	30		FEEARP
C=CCC(=O)N(C[C@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1	ZINC000012757536	220026087	/nfs/dbraw/zinc/02/60/87/220026087.db2.gz	YDNGAKYDJJFZOQ-LJQANCHMSA-N	2	0	351.535	2.234	50	30		FEEARP
C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1	ZINC000072406753	541805768	/nfs/dbraw/zinc/80/57/68/541805768.db2.gz	FGARWJDFZASHGJ-PKOBYXMFSA-N	2	0	357.498	2.413	50	30		FEEARP
C[C@@H]1C[NH+](CC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000058227389	221110508	/nfs/dbraw/zinc/11/05/08/221110508.db2.gz	KXKVYXKHFKIGQI-IAGOWNOFSA-N	2	0	370.497	2.318	50	30		FEEARP
C=CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1OC	ZINC000072418115	541807861	/nfs/dbraw/zinc/80/78/61/541807861.db2.gz	YGCZITJAXVNVOC-RBUKOAKNSA-N	2	0	357.498	2.195	50	30		FEEARP
CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093872	542231985	/nfs/dbraw/zinc/23/19/85/542231985.db2.gz	UNADFJPUARLGJV-IBGZPJMESA-N	2	0	358.486	2.320	50	30		FEEARP
CC1(C)CC(O)(C#CC#CC2(O)CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000002491625	203861447	/nfs/dbraw/zinc/86/14/47/203861447.db2.gz	WLRCTITZCCZDJJ-UHFFFAOYSA-N	2	0	360.542	2.337	50	30		FEEARP
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]CCCn1ccnc1	ZINC000003985049	206164991	/nfs/dbraw/zinc/16/49/91/206164991.db2.gz	YPVNDGHUQSAIQK-DOVHUEEUSA-N	2	0	373.497	2.390	50	30	biogenic	FEEARP
C[NH+](C)CCCOc1ccc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cc1	ZINC000072127370	541785144	/nfs/dbraw/zinc/78/51/44/541785144.db2.gz	DPSZRRGPTLRCEW-UHFFFAOYSA-N	2	0	351.454	2.179	50	30		FEEARP
C[NH+](C)CCN1C[C@]2(CCC[N@H+](Cc3cccc(C#N)c3)C2)CCC1=O	ZINC000092062360	542842284	/nfs/dbraw/zinc/84/22/84/542842284.db2.gz	YRNWOIXXUKDRMC-OAQYLSRUSA-N	2	0	354.498	2.324	50	30		FEEARP
C[NH+](C)CCN1C[C@@]2(CCC[N@H+](Cc3cccc(C#N)c3)C2)CCC1=O	ZINC000092062359	542842398	/nfs/dbraw/zinc/84/23/98/542842398.db2.gz	YRNWOIXXUKDRMC-NRFANRHFSA-N	2	0	354.498	2.324	50	30		FEEARP
C=CC[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000095501700	542974987	/nfs/dbraw/zinc/97/49/87/542974987.db2.gz	NMLLWACBHFKCNG-KRWDZBQOSA-N	2	0	366.527	2.102	50	30		FEEARP
C=C(C)C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000014979908	670010184	/nfs/dbraw/zinc/01/01/84/670010184.db2.gz	UKPPGXQDOWGLKD-KRWDZBQOSA-N	2	0	366.527	2.149	50	30		FEEARP
C=CCC(=O)N(C[C@@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1	ZINC000012757538	670003839	/nfs/dbraw/zinc/00/38/39/670003839.db2.gz	YDNGAKYDJJFZOQ-IBGZPJMESA-N	2	0	351.535	2.234	50	30		FEEARP
CN1CC[N@H+](C)CC12CC[NH+](Cc1ccc(C#CC(C)(C)O)s1)CC2	ZINC000067975409	541535376	/nfs/dbraw/zinc/53/53/76/541535376.db2.gz	USYZQTJZAANMAI-UHFFFAOYSA-N	2	0	361.555	2.082	50	30		FEEARP
C=CCNc1nc(NCC[NH3+])c(C#N)c2c1CN(Cc1ccccc1)CC2	ZINC000005667873	210106197	/nfs/dbraw/zinc/10/61/97/210106197.db2.gz	IYSQEFZSYGQLMR-UHFFFAOYSA-N	2	0	362.481	2.480	50	30		FEEARP
CC[NH+]1CCN(CCOc2ccc(C[NH+]3CCC(C#N)CC3)cc2)CC1	ZINC000215983751	568099031	/nfs/dbraw/zinc/09/90/31/568099031.db2.gz	ZTJQWTWQSAOHSZ-UHFFFAOYSA-N	2	0	356.514	2.438	50	30		FEEARP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093868	542232056	/nfs/dbraw/zinc/23/20/56/542232056.db2.gz	UNADFJPUARLGJV-LJQANCHMSA-N	2	0	358.486	2.320	50	30		FEEARP
CCOCCC[NH+]=C(NCC[NH+](CC)CC)NCc1ccc(OC)cc1	ZINC000058307517	221113249	/nfs/dbraw/zinc/11/32/49/221113249.db2.gz	SFYIRRKOMCHUNS-UHFFFAOYSA-N	2	0	364.534	2.499	50	30		FEEARP