smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1sc2c(c1C#N)CCNC2	ZINC001218552870	774245987	/nfs/dbraw/zinc/24/59/87/774245987.db2.gz	LEQLGPCTUUSNME-LBPRGKRZSA-N	2	3	321.450	0.921	20	30		DCEDHP
C=CCCC[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC001354474708	956401565	/nfs/dbraw/zinc/40/15/65/956401565.db2.gz	MWPKUESABGMQCG-BZUAXINKSA-N	2	3	310.486	0.868	20	30		DCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1	ZINC000303892471	416102975	/nfs/dbraw/zinc/10/29/75/416102975.db2.gz	RFGHOYHIJRHAIR-HNNXBMFYSA-N	2	3	310.490	0.013	20	30		DCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1	ZINC000303892471	416102976	/nfs/dbraw/zinc/10/29/76/416102976.db2.gz	RFGHOYHIJRHAIR-HNNXBMFYSA-N	2	3	310.490	0.013	20	30		DCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1	ZINC000304675301	685210521	/nfs/dbraw/zinc/21/05/21/685210521.db2.gz	CWHUMUPMMUSYBH-INIZCTEOSA-N	2	3	324.517	0.401	20	30		DCEDHP
N#Cc1c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)sc2c1CCNC2	ZINC001218552854	774246252	/nfs/dbraw/zinc/24/62/52/774246252.db2.gz	LARQHHHCEPVLGZ-CYBMUJFWSA-N	2	3	319.434	0.531	20	30		DCEDHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)C[C@H]1C[NH+](C)C	ZINC001119241359	766606792	/nfs/dbraw/zinc/60/67/92/766606792.db2.gz	BTPSEOVRQGWPGQ-KFWWJZLASA-N	2	3	309.458	0.205	20	30		DCEDHP
C=CCCC[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC001354474710	956401320	/nfs/dbraw/zinc/40/13/20/956401320.db2.gz	MWPKUESABGMQCG-OAGGEKHMSA-N	2	3	310.486	0.868	20	30		DCEDHP
CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCCN1CC	ZINC000304824669	685212321	/nfs/dbraw/zinc/21/23/21/685212321.db2.gz	FWSRGSPZAVMTTA-GJZGRUSLSA-N	2	3	313.490	0.732	20	30		DCEDHP
CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCCN1CC	ZINC000304824671	685211502	/nfs/dbraw/zinc/21/15/02/685211502.db2.gz	FWSRGSPZAVMTTA-HUUCEWRRSA-N	2	3	313.490	0.732	20	30		DCEDHP
C#CC[C@]1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]1	ZINC001161445515	772224688	/nfs/dbraw/zinc/22/46/88/772224688.db2.gz	PQBNMDBTAKJBTB-DOTOQJQBSA-N	2	3	306.454	0.274	20	30		DCEDHP
N#Cc1c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)sc2c1CCNC2	ZINC001218552855	774246242	/nfs/dbraw/zinc/24/62/42/774246242.db2.gz	LARQHHHCEPVLGZ-ZDUSSCGKSA-N	2	3	319.434	0.531	20	30		DCEDHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)C[C@H]1C[NH+](C)C	ZINC001119241360	766606927	/nfs/dbraw/zinc/60/69/27/766606927.db2.gz	BTPSEOVRQGWPGQ-RBSFLKMASA-N	2	3	309.458	0.205	20	30		DCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1	ZINC000304675302	685210808	/nfs/dbraw/zinc/21/08/08/685210808.db2.gz	CWHUMUPMMUSYBH-MRXNPFEDSA-N	2	3	324.517	0.401	20	30		DCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1	ZINC000303892474	416102869	/nfs/dbraw/zinc/10/28/69/416102869.db2.gz	RFGHOYHIJRHAIR-OAHLLOKOSA-N	2	3	310.490	0.013	20	30		DCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1	ZINC000303892474	416102872	/nfs/dbraw/zinc/10/28/72/416102872.db2.gz	RFGHOYHIJRHAIR-OAHLLOKOSA-N	2	3	310.490	0.013	20	30		DCEDHP
CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCCN1CC	ZINC000304824667	685211764	/nfs/dbraw/zinc/21/17/64/685211764.db2.gz	FWSRGSPZAVMTTA-CABCVRRESA-N	2	3	313.490	0.732	20	30		DCEDHP
C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000877144555	668567335	/nfs/dbraw/zinc/56/73/35/668567335.db2.gz	PJCKQABMOSCKTR-MCIONIFRSA-N	2	3	316.877	0.654	20	30		DCEDHP
C#CC[C@]1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1	ZINC001161445518	772224563	/nfs/dbraw/zinc/22/45/63/772224563.db2.gz	PQBNMDBTAKJBTB-NVXWUHKLSA-N	2	3	306.454	0.274	20	30		DCEDHP
CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCCN1CC	ZINC000304824672	685212058	/nfs/dbraw/zinc/21/20/58/685212058.db2.gz	FWSRGSPZAVMTTA-LSDHHAIUSA-N	2	3	313.490	0.732	20	30		DCEDHP
C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000877144556	668567424	/nfs/dbraw/zinc/56/74/24/668567424.db2.gz	PJCKQABMOSCKTR-MGPQQGTHSA-N	2	3	316.877	0.654	20	30		DCEDHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)C[C@H]1C[NH+](C)C	ZINC001330626194	950554836	/nfs/dbraw/zinc/55/48/36/950554836.db2.gz	ZFGRYIOOKAMVON-BZUAXINKSA-N	2	3	323.485	0.595	20	30		DCEDHP
C=CC[NH+]1CCC(NC(=O)CCCN2CCC([NH3+])CC2)CC1	ZINC000433126922	338182510	/nfs/dbraw/zinc/18/25/10/338182510.db2.gz	QIYLHOYIBXOYRO-UHFFFAOYSA-N	2	3	308.470	0.956	20	30		DCEDHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@H]1C[NH+](C)C	ZINC001330626195	950554385	/nfs/dbraw/zinc/55/43/85/950554385.db2.gz	ZFGRYIOOKAMVON-OAGGEKHMSA-N	2	3	323.485	0.595	20	30		DCEDHP
N#Cc1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])sc2c1CCNC2	ZINC001218553644	774246321	/nfs/dbraw/zinc/24/63/21/774246321.db2.gz	RJLIHCHUKWZKOD-NSHDSACASA-N	2	3	307.423	0.660	20	30		DCEDHP