smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000000104370	342674682	/nfs/dbraw/zinc/67/46/82/342674682.db2.gz	HLLHNGZJNTZLRG-SNVBAGLBSA-N	1	3	238.331	1.856	50	30		BDEAHO
CN(C)CC#CCCCCC#CC[NH+](C)C	ZINC000002282256	388588265	/nfs/dbraw/zinc/58/82/65/388588265.db2.gz	QUGIAPBMBFZIRW-UHFFFAOYSA-N	1	3	220.360	1.677	50	30		BDEAHO
C[C@H](CNC(=[NH2+])NC1CC1)N1CCC[C@H](C)C1	ZINC000253416442	526196262	/nfs/dbraw/zinc/19/62/62/526196262.db2.gz	BZBRWOUNGHKXGU-WDEREUQCSA-N	1	3	238.379	1.174	50	30		BDEAHO
C[C@@H]1CCCN(CC[NH+]=C(N(C)C)N(C)C)C1	ZINC000252501471	524223998	/nfs/dbraw/zinc/22/39/98/524223998.db2.gz	UFLYPNPEYOMWQA-GFCCVEGCSA-N	1	3	240.395	1.198	50	30		BDEAHO
N#CCCNCCCCCC[NH2+]CCC#N	ZINC000003885454	342738860	/nfs/dbraw/zinc/73/88/60/342738860.db2.gz	ABYBSKYSXDSVJG-UHFFFAOYSA-N	1	3	222.336	1.553	50	30		BDEAHO
CNC(NCC(C)(C)N1CCC[C@@H](C)C1)=[NH+]C	ZINC000097199651	173211499	/nfs/dbraw/zinc/21/14/99/173211499.db2.gz	CUNDGJYDZTXEEW-LLVKDONJSA-N	1	3	240.395	1.292	50	30		BDEAHO
C[C@H]1CCCCN1CC[NH+]=C(N(C)C)N(C)C	ZINC000069537147	177074505	/nfs/dbraw/zinc/07/45/05/177074505.db2.gz	IGYYZUINYBQZKS-LBPRGKRZSA-N	1	3	240.395	1.340	50	30		BDEAHO
CCNC(=[NH2+])NCc1ccc(CN(C)C)cc1	ZINC000075583733	359335223	/nfs/dbraw/zinc/33/52/23/359335223.db2.gz	AOJVFKAOKUYMPM-UHFFFAOYSA-N	1	3	234.347	1.172	50	30		BDEAHO
Cc1ccc(NC(=[NH2+])NCCCN(C)C)cc1C	ZINC000252569098	524911522	/nfs/dbraw/zinc/91/15/22/524911522.db2.gz	VZDWZULCOQVYCU-UHFFFAOYSA-N	1	3	248.374	1.982	50	30		BDEAHO
C#CCN1CCC(C[NH+](CC)CC)CC1	ZINC000051908089	386697728	/nfs/dbraw/zinc/69/77/28/386697728.db2.gz	IZONMQYFRZIWIR-UHFFFAOYSA-N	1	3	208.349	1.673	50	30		BDEAHO
Cc1c(Cl)cccc1NC(=N)NC(N)=[NH2+]	ZINC000013153427	346933561	/nfs/dbraw/zinc/93/35/61/346933561.db2.gz	ADAYMJIUZHEBPP-UHFFFAOYSA-N	1	3	225.683	1.078	50	30		BDEAHO
Cc1c(Cl)cccc1NC(=[NH2+])NC(=N)N	ZINC000013153427	346933565	/nfs/dbraw/zinc/93/35/65/346933565.db2.gz	ADAYMJIUZHEBPP-UHFFFAOYSA-N	1	3	225.683	1.078	50	30		BDEAHO
CC1CCN(CC[NH+]=C(N(C)C)N(C)C)CC1	ZINC000104168074	168181127	/nfs/dbraw/zinc/18/11/27/168181127.db2.gz	PSXRGFAHZFQSEA-UHFFFAOYSA-N	1	3	240.395	1.198	50	30		BDEAHO
C[C@H](CNC(=[NH2+])NC1CC1)N1CCC(C)CC1	ZINC000225528979	168185703	/nfs/dbraw/zinc/18/57/03/168185703.db2.gz	QUCRAOXNKBXUDU-LLVKDONJSA-N	1	3	238.379	1.174	50	30		BDEAHO
COC(=O)C(C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000000104372	342674657	/nfs/dbraw/zinc/67/46/57/342674657.db2.gz	HLLHNGZJNTZLRG-JTQLQIEISA-N	1	3	238.331	1.856	50	30		BDEAHO
CC(C)(CNC(=[NH2+])NC1CC1)N1CCCCC1	ZINC000065503463	361581729	/nfs/dbraw/zinc/58/17/29/361581729.db2.gz	ANGVLIIUBFMTHS-UHFFFAOYSA-N	1	3	238.379	1.318	50	30		BDEAHO
CC(C)N(C)CC(=O)NC[C@H]1[NH2+]CCC[C@H]1C	ZINC000328600343	519607035	/nfs/dbraw/zinc/60/70/35/519607035.db2.gz	XDAQQGOVBJFQJH-VXGBXAGGSA-N	1	3	241.379	1.671	50	30		BDEAHO
C=CCc1ccccc1OCCCNCC[NH3+]	ZINC000020118712	187369949	/nfs/dbraw/zinc/36/99/49/187369949.db2.gz	BDAQKDIPPZJXGV-UHFFFAOYSA-N	1	3	234.343	1.732	50	30		BDEAHO
C[C@@H]1CCCCN1CC[NH+]=C(N(C)C)N(C)C	ZINC000069537144	176070740	/nfs/dbraw/zinc/07/07/40/176070740.db2.gz	IGYYZUINYBQZKS-GFCCVEGCSA-N	1	3	240.395	1.340	50	30		BDEAHO
C[C@@H](CNC(=[NH2+])NC1CC1)N1CCC[C@H](C)C1	ZINC000253416440	524308959	/nfs/dbraw/zinc/30/89/59/524308959.db2.gz	BZBRWOUNGHKXGU-QWRGUYRKSA-N	1	3	238.379	1.174	50	30		BDEAHO
C[C@H](CNC(=[NH2+])NC1CC1)N1CCC[C@@H](C)C1	ZINC000253416434	526196764	/nfs/dbraw/zinc/19/67/64/526196764.db2.gz	BZBRWOUNGHKXGU-GHMZBOCLSA-N	1	3	238.379	1.174	50	30		BDEAHO
CNC(NCCCN(C)Cc1ccccc1)=[NH+]C	ZINC000058064534	411314607	/nfs/dbraw/zinc/31/46/07/411314607.db2.gz	MNNFAWBYKVUZGZ-UHFFFAOYSA-N	1	3	248.374	1.303	50	30		BDEAHO
N=C(NC(N)=[NH2+])Nc1ccc(C(F)(F)F)cc1	ZINC000019795287	181188120	/nfs/dbraw/zinc/18/81/20/181188120.db2.gz	YBEYVQONJZSGFJ-UHFFFAOYSA-N	1	3	245.208	1.135	50	30		BDEAHO
CC(C)N(C)CC(=O)NC[C@@H]1[NH2+]CCC[C@H]1C	ZINC000328600342	519607049	/nfs/dbraw/zinc/60/70/49/519607049.db2.gz	XDAQQGOVBJFQJH-NEPJUHHUSA-N	1	3	241.379	1.671	50	30		BDEAHO
CN(C)Cc1ccc(CNC(=[NH2+])NC2CC2)cc1	ZINC000170610526	361802064	/nfs/dbraw/zinc/80/20/64/361802064.db2.gz	KWZVCNGAOZEJTI-UHFFFAOYSA-N	1	3	246.358	1.315	50	30		BDEAHO
CC(C)N(CC[NH+]=C(N(C)C)N(C)C)C1CC1	ZINC000195529985	388478224	/nfs/dbraw/zinc/47/82/24/388478224.db2.gz	ROHVSSZWVPCMJS-UHFFFAOYSA-N	1	3	240.395	1.338	50	30		BDEAHO
CC(C)C[C@H](CNC(=[NH2+])N(C)C)N1CCCC1	ZINC000170910301	519328709	/nfs/dbraw/zinc/32/87/09/519328709.db2.gz	QEQJXBRYNPJILT-GFCCVEGCSA-N	1	3	240.395	1.373	50	30		BDEAHO
CN(CCNC(=[NH2+])NC1CC1)C1CCCCC1	ZINC000225529280	522592643	/nfs/dbraw/zinc/59/26/43/522592643.db2.gz	BBFBTAURNXNNMZ-UHFFFAOYSA-N	1	3	238.379	1.318	50	30		BDEAHO
N#Cc1ccc(CN2CCC(C[NH3+])CC2)cc1	ZINC000044512022	343504869	/nfs/dbraw/zinc/50/48/69/343504869.db2.gz	WHVQYIFEAAKALY-UHFFFAOYSA-N	1	3	229.327	1.729	50	30		BDEAHO
C(#CCN1CCCC1)CCC[NH+]1CCCC1	ZINC000001689780	166225684	/nfs/dbraw/zinc/22/56/84/166225684.db2.gz	RMIZJARWWRAPCN-UHFFFAOYSA-N	1	3	220.360	1.962	50	30		BDEAHO
C[C@@H](CNC(=[NH2+])NC1CC1)N1CCC(C)CC1	ZINC000225529004	168185753	/nfs/dbraw/zinc/18/57/53/168185753.db2.gz	QUCRAOXNKBXUDU-NSHDSACASA-N	1	3	238.379	1.174	50	30		BDEAHO
C#CCN1CCC(OCCC[NH+](C)C)CC1	ZINC000079014244	371172985	/nfs/dbraw/zinc/17/29/85/371172985.db2.gz	FQXNSJIWTNRNNJ-UHFFFAOYSA-N	1	3	224.348	1.052	50	30		BDEAHO
CNC(NCC(C)(C)N1CCC[C@H](C)C1)=[NH+]C	ZINC000097199652	173210556	/nfs/dbraw/zinc/21/05/56/173210556.db2.gz	CUNDGJYDZTXEEW-NSHDSACASA-N	1	3	240.395	1.292	50	30		BDEAHO
CC(C)C[C@@H](CNC(=[NH2+])N(C)C)N1CCCC1	ZINC000170910300	519774391	/nfs/dbraw/zinc/77/43/91/519774391.db2.gz	QEQJXBRYNPJILT-LBPRGKRZSA-N	1	3	240.395	1.373	50	30		BDEAHO
C[C@@H](CNC(=[NH2+])NC1CC1)N1CCC[C@@H](C)C1	ZINC000253416435	524308595	/nfs/dbraw/zinc/30/85/95/524308595.db2.gz	BZBRWOUNGHKXGU-MNOVXSKESA-N	1	3	238.379	1.174	50	30		BDEAHO
C[C@H]1CCCN(CC[NH+]=C(N(C)C)N(C)C)C1	ZINC000252501472	524088358	/nfs/dbraw/zinc/08/83/58/524088358.db2.gz	UFLYPNPEYOMWQA-LBPRGKRZSA-N	1	3	240.395	1.198	50	30		BDEAHO