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+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000020503930	263381397	/nfs/dbraw/zinc/38/13/97/263381397.db2.gz	WUWMEFUUXGMASM-IRFCIJBXSA-N	2	2	368.525	1.758	40	30	biogenic,in-vitro	FDEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000020503930	263381399	/nfs/dbraw/zinc/38/13/99/263381399.db2.gz	WUWMEFUUXGMASM-IRFCIJBXSA-N	2	2	368.525	1.758	40	30	biogenic,in-vitro	FDEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000020503930	263381403	/nfs/dbraw/zinc/38/14/03/263381403.db2.gz	WUWMEFUUXGMASM-IRFCIJBXSA-N	2	2	368.525	1.758	40	30	biogenic,in-vitro	FDEBLP
CC(=NNC(N)=[NH2+])c1ccc(Oc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1	ZINC000008637293	207238859	/nfs/dbraw/zinc/23/88/59/207238859.db2.gz	IYZZCNSHNSLCKV-QEUMEHMPSA-N	2	2	366.429	1.893	40	30		FDEBLP
C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]CCO)cc1OC	ZINC000022076669	263384748	/nfs/dbraw/zinc/38/47/48/263384748.db2.gz	OJXRCEIJKWNNRH-UHFFFAOYSA-N	2	2	359.264	1.694	40	30		FDEBLP
CC(=NNC(N)=[NH2+])c1ccc2c(c1)Cc1cc(C(C)=NNC(N)=[NH2+])ccc1-2	ZINC000017109388	211179274	/nfs/dbraw/zinc/17/92/74/211179274.db2.gz	VJFYJCMGJWHYIT-OASZVOALSA-N	2	2	362.441	1.672	40	30		FDEBLP
C#CCN(C)Cc1nc(C2(O)CC[NH+](C3CC[NH+](C)CC3)CC2)cs1	ZINC000225469769	537549733	/nfs/dbraw/zinc/54/97/33/537549733.db2.gz	FBMYQHYRCWJRRR-UHFFFAOYSA-N	2	2	362.543	1.586	40	30	biogenic,in-vitro	FDEBLP
CC(=NNC(N)=[NH2+])c1ccc(Oc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1	ZINC000017431003	220216330	/nfs/dbraw/zinc/21/63/30/220216330.db2.gz	IYZZCNSHNSLCKV-CBSQCECLSA-N	2	2	366.429	1.893	40	30		FDEBLP
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N=NC3C[NH+]4CCC3CC4)c2)CC1	ZINC000004575579	518305194	/nfs/dbraw/zinc/30/51/94/518305194.db2.gz	ASEUFCBJOVYHRS-JZJYNLBNSA-N	2	2	358.446	1.840	40	30		FDEBLP
CC(=NNC(N)=[NH2+])c1ccc2c(c1)Cc1cc(C(C)=NNC(N)=[NH2+])ccc1-2	ZINC000008648927	518480528	/nfs/dbraw/zinc/48/05/28/518480528.db2.gz	VJFYJCMGJWHYIT-KDWDADFLSA-N	2	2	362.441	1.672	40	30		FDEBLP
Cn1cncc1C[N@H+]1CC[C@@]2(CN(C)/C(=[NH+]/c3ccccc3)O2)[C@@H](O)C1	ZINC000257202082	571149452	/nfs/dbraw/zinc/14/94/52/571149452.db2.gz	AKIYCVLNNMDHOU-WSUGQWEGSA-N	2	2	355.442	1.375	40	30		FDEBLP
Cn1cncc1C[N@@H+]1CC[C@@]2(CN(C)/C(=[NH+]/c3ccccc3)O2)[C@@H](O)C1	ZINC000257202082	571149453	/nfs/dbraw/zinc/14/94/53/571149453.db2.gz	AKIYCVLNNMDHOU-WSUGQWEGSA-N	2	2	355.442	1.375	40	30		FDEBLP
C#CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1	ZINC000020503934	518851123	/nfs/dbraw/zinc/85/11/23/518851123.db2.gz	JPPKBHSVXPZWRP-OKZBNKHCSA-N	2	2	361.511	1.240	40	30	biogenic,in-vitro	FDEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1	ZINC000020503934	518851131	/nfs/dbraw/zinc/85/11/31/518851131.db2.gz	JPPKBHSVXPZWRP-OKZBNKHCSA-N	2	2	361.511	1.240	40	30	biogenic,in-vitro	FDEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1	ZINC000020503934	518851135	/nfs/dbraw/zinc/85/11/35/518851135.db2.gz	JPPKBHSVXPZWRP-OKZBNKHCSA-N	2	2	361.511	1.240	40	30	biogenic,in-vitro	FDEBLP
CN1C[C@@]2(CC[N@H+](Cc3ccnn3C)C[C@@H]2O)O/C1=[NH+]\c1ccccc1	ZINC000257341688	571163166	/nfs/dbraw/zinc/16/31/66/571163166.db2.gz	ZLKTYCBIJWIWEB-WSUGQWEGSA-N	2	2	355.442	1.375	40	30		FDEBLP
CN1C[C@@]2(CC[N@@H+](Cc3ccnn3C)C[C@@H]2O)O/C1=[NH+]\c1ccccc1	ZINC000257341688	571163167	/nfs/dbraw/zinc/16/31/67/571163167.db2.gz	ZLKTYCBIJWIWEB-WSUGQWEGSA-N	2	2	355.442	1.375	40	30		FDEBLP