smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](CC(/C=C/C[N@H+](C)Cc1cccc2ccccc21)=C/C#CC(C)(C)C)Cc1cccc2ccccc21	ZINC000077313330	553664537	/nfs/dbraw/zinc/66/45/37/553664537.db2.gz	YZZQDUPUWRZTLM-YQGGXCSUSA-N	2	1	500.730	8.089	40	30	in-vitro	KKEBMP
C[NH+](C/C=C/C(=C\C#CC(C)(C)C)C[N@H+](C)Cc1cccc2ccccc21)Cc1cccc2ccccc21	ZINC000077313330	553664538	/nfs/dbraw/zinc/66/45/38/553664538.db2.gz	YZZQDUPUWRZTLM-YQGGXCSUSA-N	2	1	500.730	8.089	40	30	in-vitro	KKEBMP
C[NH+](C/C=C/C(=C\C#CC(C)(C)C)C[N@@H+](C)Cc1cccc2ccccc21)Cc1cccc2ccccc21	ZINC000077313330	553664540	/nfs/dbraw/zinc/66/45/40/553664540.db2.gz	YZZQDUPUWRZTLM-YQGGXCSUSA-N	2	1	500.730	8.089	40	30	in-vitro	KKEBMP
O=C(Nc1ccc(NC(=Nc2ccccc2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(NC(=[NH+]c3ccccc3)c3ccccc3)cc2)cc1	ZINC000150486945	571516450	/nfs/dbraw/zinc/51/64/50/571516450.db2.gz	KXAZHUJEODPMPI-UHFFFAOYSA-N	2	1	704.834	10.572	40	30		KKEBMP
O=C(Nc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(NC(=[NH+]c3ccccc3)c3ccccc3)cc2)cc1	ZINC000150486945	571516453	/nfs/dbraw/zinc/51/64/53/571516453.db2.gz	KXAZHUJEODPMPI-UHFFFAOYSA-N	2	1	704.834	10.572	40	30		KKEBMP
COc1cc2c(cc1OC)[C@@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000100144829	554230073	/nfs/dbraw/zinc/23/00/73/554230073.db2.gz	ROCDXPADLYVOGR-QOGFQRJYSA-N	2	1	630.874	7.149	40	30		KKEBMP
COc1cc2c(cc1OC)[C@@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000100144832	554230150	/nfs/dbraw/zinc/23/01/50/554230150.db2.gz	ROCDXPADLYVOGR-VLLCJLIQSA-N	2	1	630.874	7.149	40	30		KKEBMP
CN=C(Nc1ccc(C(NC)=[NH+]C)cc1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(Nc4ccc(C(NC)=[NH+]C)cc4)=[NH+]C)cc3)cc2)cc1	ZINC000150367464	571465059	/nfs/dbraw/zinc/46/50/59/571465059.db2.gz	BHKMBABQTPOPSK-UHFFFAOYSA-N	3	1	720.882	5.978	40	30		KKEBMP
COc1cc2c(cc1OC)[C@@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000100144826	554230130	/nfs/dbraw/zinc/23/01/30/554230130.db2.gz	ROCDXPADLYVOGR-QAUFNDMSSA-N	2	1	630.874	7.149	40	30		KKEBMP
COc1cc2c(cc1OC)[C@@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000100144826	554230134	/nfs/dbraw/zinc/23/01/34/554230134.db2.gz	ROCDXPADLYVOGR-QAUFNDMSSA-N	2	1	630.874	7.149	40	30		KKEBMP
COc1cc2c(cc1OC)[C@@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000100144826	554230136	/nfs/dbraw/zinc/23/01/36/554230136.db2.gz	ROCDXPADLYVOGR-QAUFNDMSSA-N	2	1	630.874	7.149	40	30		KKEBMP