smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000303872526	649825946	/nfs/dbraw/zinc/82/59/46/649825946.db2.gz	CAQMJZTXVLOYBU-UKRRQHHQSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000303872526	649825947	/nfs/dbraw/zinc/82/59/47/649825947.db2.gz	CAQMJZTXVLOYBU-UKRRQHHQSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1	ZINC000303882473	649826300	/nfs/dbraw/zinc/82/63/00/649826300.db2.gz	ICEYJYPWSNUWFU-STQMWFEESA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1	ZINC000303882473	649826301	/nfs/dbraw/zinc/82/63/01/649826301.db2.gz	ICEYJYPWSNUWFU-STQMWFEESA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1	ZINC000303865696	649825855	/nfs/dbraw/zinc/82/58/55/649825855.db2.gz	BTJHZUYUHPRXJK-AWEZNQCLSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000104172521	615131362	/nfs/dbraw/zinc/13/13/62/615131362.db2.gz	CAQMJZTXVLOYBU-DZGCQCFKSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000104172521	615131364	/nfs/dbraw/zinc/13/13/64/615131364.db2.gz	CAQMJZTXVLOYBU-DZGCQCFKSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1	ZINC000303882466	649826135	/nfs/dbraw/zinc/82/61/35/649826135.db2.gz	ICEYJYPWSNUWFU-CHWSQXEVSA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1	ZINC000303882466	649826136	/nfs/dbraw/zinc/82/61/36/649826136.db2.gz	ICEYJYPWSNUWFU-CHWSQXEVSA-N	2	3	267.421	0.327	20	30		CCEDHP
N#Cc1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])sc2c1CCNC2	ZINC001218554743	804000946	/nfs/dbraw/zinc/00/09/46/804000946.db2.gz	WOZAQSMPOUNAEX-JTQLQIEISA-N	2	3	293.396	0.270	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1	ZINC000303898042	649826436	/nfs/dbraw/zinc/82/64/36/649826436.db2.gz	QZISZITWZNQRRZ-KBPBESRZSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1	ZINC000303898042	649826438	/nfs/dbraw/zinc/82/64/38/649826438.db2.gz	QZISZITWZNQRRZ-KBPBESRZSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1	ZINC000304751635	649838307	/nfs/dbraw/zinc/83/83/07/649838307.db2.gz	JMSODNBWLQWCHQ-KGLIPLIRSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1	ZINC000304751635	649838309	/nfs/dbraw/zinc/83/83/09/649838309.db2.gz	JMSODNBWLQWCHQ-KGLIPLIRSA-N	2	3	281.448	0.717	20	30		CCEDHP
N#Cc1c(NC(=O)[C@H]([NH3+])CCC[NH3+])sc2c1CCNC2	ZINC001218554752	804002239	/nfs/dbraw/zinc/00/22/39/804002239.db2.gz	WOZAQSMPOUNAEX-SNVBAGLBSA-N	2	3	293.396	0.270	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1	ZINC000303898044	649826602	/nfs/dbraw/zinc/82/66/02/649826602.db2.gz	QZISZITWZNQRRZ-KGLIPLIRSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1	ZINC000303898044	649826603	/nfs/dbraw/zinc/82/66/03/649826603.db2.gz	QZISZITWZNQRRZ-KGLIPLIRSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1	ZINC000170908622	637103446	/nfs/dbraw/zinc/10/34/46/637103446.db2.gz	HSTAYAHJJQKCPN-AWEZNQCLSA-N	2	3	281.448	0.861	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)C	ZINC000303708992	649824047	/nfs/dbraw/zinc/82/40/47/649824047.db2.gz	NLXQTHZBYZVHTE-GFCCVEGCSA-N	2	3	255.410	0.327	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)CCOC	ZINC000104173078	615144482	/nfs/dbraw/zinc/14/44/82/615144482.db2.gz	FBXDIZDTJXTENA-AWEZNQCLSA-N	2	3	299.463	0.343	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)CCOC	ZINC000104173078	615144484	/nfs/dbraw/zinc/14/44/84/615144484.db2.gz	FBXDIZDTJXTENA-AWEZNQCLSA-N	2	3	299.463	0.343	20	30		CCEDHP
CC(C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000345763387	389314117	/nfs/dbraw/zinc/31/41/17/389314117.db2.gz	JJTMAXVJRSYUHP-ZDUSSCGKSA-N	2	3	268.405	0.878	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1	ZINC000303882471	649826200	/nfs/dbraw/zinc/82/62/00/649826200.db2.gz	ICEYJYPWSNUWFU-QWHCGFSZSA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1	ZINC000303882471	649826202	/nfs/dbraw/zinc/82/62/02/649826202.db2.gz	ICEYJYPWSNUWFU-QWHCGFSZSA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1	ZINC000303865697	649825916	/nfs/dbraw/zinc/82/59/16/649825916.db2.gz	BTJHZUYUHPRXJK-CQSZACIVSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC	ZINC000303701026	649824107	/nfs/dbraw/zinc/82/41/07/649824107.db2.gz	HWZRPTHQCOLOBD-KBPBESRZSA-N	2	3	281.448	0.859	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC	ZINC000303701026	649824108	/nfs/dbraw/zinc/82/41/08/649824108.db2.gz	HWZRPTHQCOLOBD-KBPBESRZSA-N	2	3	281.448	0.859	20	30		CCEDHP
C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+]	ZINC001220868152	804684263	/nfs/dbraw/zinc/68/42/63/804684263.db2.gz	COGJUFCKXMWSGA-KBPBESRZSA-N	2	3	282.432	0.599	20	30		CCEDHP
C=C(CN1CCCC1)C(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001183079486	843960888	/nfs/dbraw/zinc/96/08/88/843960888.db2.gz	ARINQTNXDHZVRQ-UHFFFAOYSA-N	2	3	267.377	0.099	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C	ZINC000104153669	615131395	/nfs/dbraw/zinc/13/13/95/615131395.db2.gz	QDYPCWDEQIOAEA-CYBMUJFWSA-N	2	3	283.464	0.963	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1	ZINC000303882469	649826357	/nfs/dbraw/zinc/82/63/57/649826357.db2.gz	ICEYJYPWSNUWFU-OLZOCXBDSA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1	ZINC000303882469	649826358	/nfs/dbraw/zinc/82/63/58/649826358.db2.gz	ICEYJYPWSNUWFU-OLZOCXBDSA-N	2	3	267.421	0.327	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000104172525	615144405	/nfs/dbraw/zinc/14/44/05/615144405.db2.gz	CAQMJZTXVLOYBU-ZFWWWQNUSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000104172525	615144407	/nfs/dbraw/zinc/14/44/07/615144407.db2.gz	CAQMJZTXVLOYBU-ZFWWWQNUSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1	ZINC000303898045	649826467	/nfs/dbraw/zinc/82/64/67/649826467.db2.gz	QZISZITWZNQRRZ-UONOGXRCSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1	ZINC000303898045	649826468	/nfs/dbraw/zinc/82/64/68/649826468.db2.gz	QZISZITWZNQRRZ-UONOGXRCSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C	ZINC000304758863	624488407	/nfs/dbraw/zinc/48/84/07/624488407.db2.gz	QOJFGGZLTBBBBH-LBPRGKRZSA-N	2	3	269.437	0.763	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)CCOC	ZINC000104173073	615131304	/nfs/dbraw/zinc/13/13/04/615131304.db2.gz	FBXDIZDTJXTENA-CQSZACIVSA-N	2	3	299.463	0.343	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)CCOC	ZINC000104173073	615131306	/nfs/dbraw/zinc/13/13/06/615131306.db2.gz	FBXDIZDTJXTENA-CQSZACIVSA-N	2	3	299.463	0.343	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1	ZINC000303898047	649826685	/nfs/dbraw/zinc/82/66/85/649826685.db2.gz	QZISZITWZNQRRZ-ZIAGYGMSSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1	ZINC000303898047	649826686	/nfs/dbraw/zinc/82/66/86/649826686.db2.gz	QZISZITWZNQRRZ-ZIAGYGMSSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1	ZINC000304751637	649838192	/nfs/dbraw/zinc/83/81/92/649838192.db2.gz	JMSODNBWLQWCHQ-ZIAGYGMSSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1	ZINC000304751637	649838193	/nfs/dbraw/zinc/83/81/93/649838193.db2.gz	JMSODNBWLQWCHQ-ZIAGYGMSSA-N	2	3	281.448	0.717	20	30		CCEDHP
CC(C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000345763386	389314290	/nfs/dbraw/zinc/31/42/90/389314290.db2.gz	JJTMAXVJRSYUHP-CYBMUJFWSA-N	2	3	268.405	0.878	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C	ZINC000104153673	615144233	/nfs/dbraw/zinc/14/42/33/615144233.db2.gz	QDYPCWDEQIOAEA-ZDUSSCGKSA-N	2	3	283.464	0.963	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)C	ZINC000303708993	649823950	/nfs/dbraw/zinc/82/39/50/649823950.db2.gz	NLXQTHZBYZVHTE-LBPRGKRZSA-N	2	3	255.410	0.327	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1	ZINC000304751636	649838413	/nfs/dbraw/zinc/83/84/13/649838413.db2.gz	JMSODNBWLQWCHQ-UONOGXRCSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1	ZINC000304751636	649838414	/nfs/dbraw/zinc/83/84/14/649838414.db2.gz	JMSODNBWLQWCHQ-UONOGXRCSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000303872525	649826009	/nfs/dbraw/zinc/82/60/09/649826009.db2.gz	CAQMJZTXVLOYBU-HIFRSBDPSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000303872525	649826010	/nfs/dbraw/zinc/82/60/10/649826010.db2.gz	CAQMJZTXVLOYBU-HIFRSBDPSA-N	2	3	293.459	0.859	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1	ZINC000304751634	649838127	/nfs/dbraw/zinc/83/81/27/649838127.db2.gz	JMSODNBWLQWCHQ-KBPBESRZSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1	ZINC000304751634	649838128	/nfs/dbraw/zinc/83/81/28/649838128.db2.gz	JMSODNBWLQWCHQ-KBPBESRZSA-N	2	3	281.448	0.717	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C	ZINC000304758861	624488515	/nfs/dbraw/zinc/48/85/15/624488515.db2.gz	QOJFGGZLTBBBBH-GFCCVEGCSA-N	2	3	269.437	0.763	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1	ZINC000170908619	637103708	/nfs/dbraw/zinc/10/37/08/637103708.db2.gz	HSTAYAHJJQKCPN-CQSZACIVSA-N	2	3	281.448	0.861	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC	ZINC000303701028	649824134	/nfs/dbraw/zinc/82/41/34/649824134.db2.gz	HWZRPTHQCOLOBD-ZIAGYGMSSA-N	2	3	281.448	0.859	20	30		CCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC	ZINC000303701028	649824135	/nfs/dbraw/zinc/82/41/35/649824135.db2.gz	HWZRPTHQCOLOBD-ZIAGYGMSSA-N	2	3	281.448	0.859	20	30		CCEDHP