smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H]2NC(=O)CC[NH2+]2)cc1	ZINC000209614110	368404767	/nfs/dbraw/zinc/40/47/67/368404767.db2.gz	DVMXVSXECILKLF-GFCCVEGCSA-N	1	2	219.288	0.861	40	10		BCCBLO
Oc1ccc(C[NH+]2CCOCC2)c(O)c1O	ZINC000031659444	183269361	/nfs/dbraw/zinc/26/93/61/183269361.db2.gz	RZRNXRJQRUGOLX-UHFFFAOYSA-N	1	2	225.244	0.636	40	10		BCCBLO
Cc1cc(=O)oc2c1ccc(O)c2C[NH2+]CCO	ZINC000032501334	343236479	/nfs/dbraw/zinc/23/64/79/343236479.db2.gz	BBTQCVCAOJVOQE-UHFFFAOYSA-N	1	2	249.266	0.889	40	10		BCCBLO
CO[C@@H]1CN(c2ccc([NH3+])cc2)C[C@@H]1O	ZINC000409435243	383836992	/nfs/dbraw/zinc/83/69/92/383836992.db2.gz	TWRVKIZFBWGANC-WDEREUQCSA-N	1	2	208.261	0.465	40	10		BCCBLO
Oc1cccc(C[NH+]2CCOCC2)c1O	ZINC000031342827	183290416	/nfs/dbraw/zinc/29/04/16/183290416.db2.gz	OSPAZNDZKGXZPQ-UHFFFAOYSA-N	1	2	209.245	0.930	40	10		BCCBLO
N=C1Nc2c(O)c(O)ccc2C2=[NH+]CCN21	ZINC000021948302	356481155	/nfs/dbraw/zinc/48/11/55/356481155.db2.gz	DYICYCAYPYBENA-UHFFFAOYSA-N	1	2	218.216	0.120	40	10		BCCBLO
CO[C@H]1CN(c2ccc([NH3+])cc2)C[C@H]1O	ZINC000409435241	383836076	/nfs/dbraw/zinc/83/60/76/383836076.db2.gz	TWRVKIZFBWGANC-MNOVXSKESA-N	1	2	208.261	0.465	40	10		BCCBLO
COc1cccc(C[NH+]2CC(O)C2)c1O	ZINC000291380602	175257713	/nfs/dbraw/zinc/25/77/13/175257713.db2.gz	AYEASUNPOSMWNU-UHFFFAOYSA-N	1	2	209.245	0.577	40	10		BCCBLO
NC(=[NH2+])C(=NNc1ccccc1)C(N)=O	ZINC000100137008	181192218	/nfs/dbraw/zinc/19/22/18/181192218.db2.gz	IWQCRGGEGLIWHV-FNDYJBODSA-N	1	2	205.221	0.560	40	10	in-vitro	BCCBLO
CO[C@@H]1CN(c2ccc([NH3+])cc2)C[C@H]1O	ZINC000396144698	359808243	/nfs/dbraw/zinc/80/82/43/359808243.db2.gz	TWRVKIZFBWGANC-GHMZBOCLSA-N	1	2	208.261	0.465	40	10		BCCBLO
O=[N+]([O-])c1ccc(O)c(C[NH2+]CCO)c1	ZINC000005749624	346627882	/nfs/dbraw/zinc/62/78/82/346627882.db2.gz	KBPURVPYVJJZGS-UHFFFAOYSA-N	1	2	212.205	0.382	40	10		BCCBLO
CCOc1cccc(C[NH+]2CC(O)C2)c1O	ZINC000297508450	384792988	/nfs/dbraw/zinc/79/29/88/384792988.db2.gz	VQSZNVXMJKXDBC-UHFFFAOYSA-N	1	2	223.272	0.967	40	10		BCCBLO
NC(=[NH2+])C(=NNc1ccccc1)C(N)=O	ZINC000057675665	181192524	/nfs/dbraw/zinc/19/25/24/181192524.db2.gz	IWQCRGGEGLIWHV-XYSASJRASA-N	1	2	205.221	0.560	40	10	in-vitro	BCCBLO
CN(C)c1ccc([C@@H]2C=C(O)NC(=[NH2+])N2)cc1	ZINC000020134708	371234154	/nfs/dbraw/zinc/23/41/54/371234154.db2.gz	NPWXPHBVSGSTBB-JTQLQIEISA-N	1	2	232.287	0.628	40	10		BCCBLO
CO[C@H]1CN(c2ccc([NH3+])cc2)C[C@@H]1O	ZINC000409435242	383836485	/nfs/dbraw/zinc/83/64/85/383836485.db2.gz	TWRVKIZFBWGANC-QWRGUYRKSA-N	1	2	208.261	0.465	40	10		BCCBLO
CN(C)c1ccc([C@@H]2NC(=O)CC[NH2+]2)cc1	ZINC000209614144	368404525	/nfs/dbraw/zinc/40/45/25/368404525.db2.gz	DVMXVSXECILKLF-LBPRGKRZSA-N	1	2	219.288	0.861	40	10		BCCBLO
COc1ccc(N2CC[N@H+](C)[C@@H](C(N)=O)C2)cc1	ZINC000072361500	536693414	/nfs/dbraw/zinc/69/34/14/536693414.db2.gz	OROSNQLBBZJTBZ-GFCCVEGCSA-N	1	2	249.314	0.301	40	10		BCCBLO
COc1ccc(N2CC[N@@H+](C)[C@@H](C(N)=O)C2)cc1	ZINC000072361500	536693417	/nfs/dbraw/zinc/69/34/17/536693417.db2.gz	OROSNQLBBZJTBZ-GFCCVEGCSA-N	1	2	249.314	0.301	40	10		BCCBLO
Oc1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000031772707	183276339	/nfs/dbraw/zinc/27/63/39/183276339.db2.gz	QAKVHMJOVNEJFX-UHFFFAOYSA-N	1	2	209.245	0.930	40	10		BCCBLO
COc1ccc(N2CC[N@H+](C)[C@H](C(N)=O)C2)cc1	ZINC000248136137	388674381	/nfs/dbraw/zinc/67/43/81/388674381.db2.gz	OROSNQLBBZJTBZ-LBPRGKRZSA-N	1	2	249.314	0.301	40	10		BCCBLO
COc1ccc(N2CC[N@@H+](C)[C@H](C(N)=O)C2)cc1	ZINC000248136137	388674382	/nfs/dbraw/zinc/67/43/82/388674382.db2.gz	OROSNQLBBZJTBZ-LBPRGKRZSA-N	1	2	249.314	0.301	40	10		BCCBLO
CN(C)c1ccc([C@H]2C=C(O)NC(=[NH2+])N2)cc1	ZINC000020134711	371235072	/nfs/dbraw/zinc/23/50/72/371235072.db2.gz	NPWXPHBVSGSTBB-SNVBAGLBSA-N	1	2	232.287	0.628	40	10		BCCBLO